5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide

C17H17ClN4O2 — CID 146152159

IUPAC5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cnn(C)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-11-14(21-17(24-11)12-6-4-3-5-7-12)8-9-19-16(23)13-10-20-22(2)15(13)18/h3-7,10H,8-9H2,1-2H3,(H,19,23)
InChIKeySUPJQMWAQFWVRO-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.01
Rot. Bonds5

About 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide

5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 146152159) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
PubChem CID146152159
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cnn(C)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-11-14(21-17(24-11)12-6-4-3-5-7-12)8-9-19-16(23)13-10-20-22(2)15(13)18/h3-7,10H,8-9H2,1-2H3,(H,19,23)
InChIKeySUPJQMWAQFWVRO-UHFFFAOYSA-N
XLogP3.01
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,3-dicarboxamide
CID 167874339
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787
5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,5-dicarboxamide
CID 167750168
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide (CID 146152159) is 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cnn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is SUPJQMWAQFWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-14(21-17(24-11)12-6-4-3-5-7-12)8-9-19-16(23)13-10-20-22(2)15(13)18/h3-7,10H,8-9H2,1-2H3,(H,19,23).
What are the key properties of 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide?
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146152159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).