N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide

C19H22N4O2 — CID 57422270

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)CC(C)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(16-7-5-4-6-8-16)9-19(24)21-17-10-20-23(11-17)12-18-14(2)22-25-15(18)3/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24)
InChIKeyTVKOSAUHEVFTSK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.67
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide (PubChem CID 57422270) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide
PubChem CID57422270
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)CC(C)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(16-7-5-4-6-8-16)9-19(24)21-17-10-20-23(11-17)12-18-14(2)22-25-15(18)3/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24)
InChIKeyTVKOSAUHEVFTSK-UHFFFAOYSA-N
XLogP3.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide (CID 57422270) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide is Cc1noc(C)c1Cn1cc(NC(=O)CC(C)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide?
The InChIKey is TVKOSAUHEVFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(16-7-5-4-6-8-16)9-19(24)21-17-10-20-23(11-17)12-18-14(2)22-25-15(18)3/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide has a molecular weight of 338.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylbutanamide is sourced from PubChem (CID 57422270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).