N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C17H25N5O2 — CID 97138524

IUPACN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)on1
InChIInChI=1S/C17H25N5O2/c1-11(2)8-13-9-15(24-21-13)17(23)19-12(3)16-20-18-10-22(16)14-6-4-5-7-14/h9-12,14H,4-8H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyWBDBGHSPIOAOJO-LBPRGKRZSA-N
MW331.42 g/mol
LogP3.07
Rot. Bonds6

About N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 97138524) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID97138524
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)on1
InChIInChI=1S/C17H25N5O2/c1-11(2)8-13-9-15(24-21-13)17(23)19-12(3)16-20-18-10-22(16)14-6-4-5-7-14/h9-12,14H,4-8H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyWBDBGHSPIOAOJO-LBPRGKRZSA-N
XLogP3.07
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 97138524) is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)on1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is WBDBGHSPIOAOJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)8-13-9-15(24-21-13)17(23)19-12(3)16-20-18-10-22(16)14-6-4-5-7-14/h9-12,14H,4-8H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97138524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).