3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide

C16H21ClN4O2 — CID 136536828

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)Nc1cnn(C2CCCC2)c1C
InChIInChI=1S/C16H21ClN4O2/c1-10-13(16(17)23-20-10)7-8-15(22)19-14-9-18-21(11(14)2)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,19,22)
InChIKeySFIZQQWPFGOEPE-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.83
Rot. Bonds5

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide (PubChem CID 136536828) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide
PubChem CID136536828
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)Nc1cnn(C2CCCC2)c1C
InChIInChI=1S/C16H21ClN4O2/c1-10-13(16(17)23-20-10)7-8-15(22)19-14-9-18-21(11(14)2)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,19,22)
InChIKeySFIZQQWPFGOEPE-UHFFFAOYSA-N
XLogP3.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424729
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CID 122159496
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438931
2-amino-2-cyclobutyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)acetamide
CID 128877145
N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 39949423
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 126787813
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95605754
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 127877563
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95349751
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide (CID 136536828) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide is Cc1noc(Cl)c1CCC(=O)Nc1cnn(C2CCCC2)c1C.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide?
The InChIKey is SFIZQQWPFGOEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-10-13(16(17)23-20-10)7-8-15(22)19-14-9-18-21(11(14)2)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,19,22).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide has a molecular weight of 336.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 136536828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).