5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide

C18H20N4O2 — CID 95933647

IUPAC5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N4O2/c1-12(2)17-16(19-11-24-17)18(23)21-13(3)14-6-4-7-15(10-14)22-9-5-8-20-22/h4-13H,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyQVUYLPMGIKPMHF-ZDUSSCGKSA-N
MW324.38 g/mol
LogP3.47
Rot. Bonds5

About 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide

5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 95933647) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID95933647
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N4O2/c1-12(2)17-16(19-11-24-17)18(23)21-13(3)14-6-4-7-15(10-14)22-9-5-8-20-22/h4-13H,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyQVUYLPMGIKPMHF-ZDUSSCGKSA-N
XLogP3.47
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 95933647) is 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1.
What is the InChIKey of 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QVUYLPMGIKPMHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)17-16(19-11-24-17)18(23)21-13(3)14-6-4-7-15(10-14)22-9-5-8-20-22/h4-13H,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95933647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).