N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C22H25N5O2 — CID 60577718

IUPACN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCN(Cc4ccncc4)CC3)c2)oc1C
InChIInChI=1S/C22H25N5O2/c1-16-17(2)29-21(24-16)19-4-3-5-20(14-19)25-22(28)27-12-10-26(11-13-27)15-18-6-8-23-9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyFGNQMSSOZASQLE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.70
Rot. Bonds4

About N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 60577718) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID60577718
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCN(Cc4ccncc4)CC3)c2)oc1C
InChIInChI=1S/C22H25N5O2/c1-16-17(2)29-21(24-16)19-4-3-5-20(14-19)25-22(28)27-12-10-26(11-13-27)15-18-6-8-23-9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyFGNQMSSOZASQLE-UHFFFAOYSA-N
XLogP3.70
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-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-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 154773809
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077628
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 60577718) is N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCN(Cc4ccncc4)CC3)c2)oc1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FGNQMSSOZASQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-17(2)29-21(24-16)19-4-3-5-20(14-19)25-22(28)27-12-10-26(11-13-27)15-18-6-8-23-9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 60577718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).