5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide

C19H22N4O2 — CID 130188030

IUPAC5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H22N4O2/c1-19(2,3)17(12-5-4-6-14-13(12)10-20-22-14)21-18(24)15-9-16(25-23-15)11-7-8-11/h4-6,9-11,17H,7-8H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyOZKSBFWHKJVRAA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.95
Rot. Bonds4

About 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188030) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID130188030
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H22N4O2/c1-19(2,3)17(12-5-4-6-14-13(12)10-20-22-14)21-18(24)15-9-16(25-23-15)11-7-8-11/h4-6,9-11,17H,7-8H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyOZKSBFWHKJVRAA-UHFFFAOYSA-N
XLogP3.95
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide (CID 130188030) is 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide is CC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1cccc2[nH]ncc12.
What is the InChIKey of 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OZKSBFWHKJVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)17(12-5-4-6-14-13(12)10-20-22-14)21-18(24)15-9-16(25-23-15)11-7-8-11/h4-6,9-11,17H,7-8H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).