5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide

C16H14ClN3O2 — CID 118425270

IUPAC5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCc1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)no1
InChIInChI=1S/C16H14ClN3O2/c1-9-6-14(20-22-9)16(4-5-16)19-15(21)13-8-10-7-11(17)2-3-12(10)18-13/h2-3,6-8,18H,4-5H2,1H3,(H,19,21)
InChIKeyNWKZCAHOSIVAOZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 118425270) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID118425270
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCc1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)no1
InChIInChI=1S/C16H14ClN3O2/c1-9-6-14(20-22-9)16(4-5-16)19-15(21)13-8-10-7-11(17)2-3-12(10)18-13/h2-3,6-8,18H,4-5H2,1H3,(H,19,21)
InChIKeyNWKZCAHOSIVAOZ-UHFFFAOYSA-N
XLogP3.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 118425270) is 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide is Cc1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)no1.
What is the InChIKey of 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is NWKZCAHOSIVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9-6-14(20-22-9)16(4-5-16)19-15(21)13-8-10-7-11(17)2-3-12(10)18-13/h2-3,6-8,18H,4-5H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).