2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide

C23H30FN5O2 — CID 170720556

IUPAC2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(N2CCN(C3CC3)CC2)nc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C23H30FN5O2/c1-16-21(26-23(31-16)29-13-11-27(12-14-29)18-6-7-18)22(30)25-17-5-8-20(19(24)15-17)28-9-3-2-4-10-28/h5,8,15,18H,2-4,6-7,9-14H2,1H3,(H,25,30)
InChIKeyAZSTWGOKRGPZEY-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide

2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 170720556) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID170720556
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(N2CCN(C3CC3)CC2)nc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C23H30FN5O2/c1-16-21(26-23(31-16)29-13-11-27(12-14-29)18-6-7-18)22(30)25-17-5-8-20(19(24)15-17)28-9-3-2-4-10-28/h5,8,15,18H,2-4,6-7,9-14H2,1H3,(H,25,30)
InChIKeyAZSTWGOKRGPZEY-UHFFFAOYSA-N
XLogP3.65
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(5-azaspiro[2.4]heptan-5-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720211
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
CID 162435038
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 52701753
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 116676043
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide (CID 170720556) is 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(N2CCN(C3CC3)CC2)nc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is AZSTWGOKRGPZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-16-21(26-23(31-16)29-13-11-27(12-14-29)18-6-7-18)22(30)25-17-5-8-20(19(24)15-17)28-9-3-2-4-10-28/h5,8,15,18H,2-4,6-7,9-14H2,1H3,(H,25,30).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide?
2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).