N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide

C27H32FN7O3 — CID 67294385

IUPACN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(N2CCCC(C)C2)oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C27H32FN7O3/c1-18-6-5-11-35(17-18)27-30-19(2)24(38-27)25(36)31-20-9-10-23(29-16-20)33-12-14-34(15-13-33)26(37)32-22-8-4-3-7-21(22)28/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3,(H,31,36)(H,32,37)
InChIKeySLMKXEBUQNARSL-UHFFFAOYSA-N
MW521.60 g/mol
LogP4.36
Rot. Bonds5

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 67294385) has the molecular formula C27H32FN7O3 and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
PubChem CID67294385
Molecular FormulaC27H32FN7O3
Molecular Weight521.60 g/mol
Exact Mass521.26
IUPAC NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(N2CCCC(C)C2)oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C27H32FN7O3/c1-18-6-5-11-35(17-18)27-30-19(2)24(38-27)25(36)31-20-9-10-23(29-16-20)33-12-14-34(15-13-33)26(37)32-22-8-4-3-7-21(22)28/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3,(H,31,36)(H,32,37)
InChIKeySLMKXEBUQNARSL-UHFFFAOYSA-N
XLogP4.36
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide
CID 91398370
2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212518
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211945
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67296428
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide
CID 149376339
2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208787
N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide
CID 147751234
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67293734
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212709
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide (CID 67294385) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide is Cc1nc(N2CCCC(C)C2)oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1.
What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is SLMKXEBUQNARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O3/c1-18-6-5-11-35(17-18)27-30-19(2)24(38-27)25(36)31-20-9-10-23(29-16-20)33-12-14-34(15-13-33)26(37)32-22-8-4-3-7-21(22)28/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3,(H,31,36)(H,32,37).
What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67294385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).