4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide

C21H29ClN4O2 — CID 19441938

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C2CCCCC2)C2CCCCC2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C21H29ClN4O2/c1-15-19(14-25-13-16(22)12-23-25)20(24-28-15)21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-13,17-18H,2-11,14H2,1H3
InChIKeyFKSYLQHPNPMUQB-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.99
Rot. Bonds5

About 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide

4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19441938) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19441938
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C2CCCCC2)C2CCCCC2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C21H29ClN4O2/c1-15-19(14-25-13-16(22)12-23-25)20(24-28-15)21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-13,17-18H,2-11,14H2,1H3
InChIKeyFKSYLQHPNPMUQB-UHFFFAOYSA-N
XLogP4.99
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide (CID 19441938) is 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N(C2CCCCC2)C2CCCCC2)c1Cn1cc(Cl)cn1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FKSYLQHPNPMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2/c1-15-19(14-25-13-16(22)12-23-25)20(24-28-15)21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-13,17-18H,2-11,14H2,1H3.
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide?
4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 404.94 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19441938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).