N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C19H23N7O2 — CID 134517536

IUPACN-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESC/C=C(\N)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H23N7O2/c1-2-14(20)17-15(10-26(25-17)13-6-4-3-5-7-13)23-18(27)16-11-28-19(24-16)12-8-21-22-9-12/h2,8-11,13H,3-7,20H2,1H3,(H,21,22)(H,23,27)/b14-2-
InChIKeyWFNKMXSVKVQFSX-VVHNFQOZSA-N
MW381.44 g/mol
LogP3.34
Rot. Bonds5

About N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 134517536) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID134517536
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESC/C=C(\N)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H23N7O2/c1-2-14(20)17-15(10-26(25-17)13-6-4-3-5-7-13)23-18(27)16-11-28-19(24-16)12-8-21-22-9-12/h2,8-11,13H,3-7,20H2,1H3,(H,21,22)(H,23,27)/b14-2-
InChIKeyWFNKMXSVKVQFSX-VVHNFQOZSA-N
XLogP3.34
TPSA127.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 134517536) is N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is C/C=C(\N)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is WFNKMXSVKVQFSX-VVHNFQOZSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-2-14(20)17-15(10-26(25-17)13-6-4-3-5-7-13)23-18(27)16-11-28-19(24-16)12-8-21-22-9-12/h2,8-11,13H,3-7,20H2,1H3,(H,21,22)(H,23,27)/b14-2-.
What are the key properties of N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134517536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).