2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

C20H19N5O3 — CID 18143050

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cn2cncn2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H19N5O3/c1-14(25-17-4-2-3-5-18(17)28-20(25)27)19(26)22-10-15-6-8-16(9-7-15)11-24-13-21-12-23-24/h2-9,12-14H,10-11H2,1H3,(H,22,26)
InChIKeyAPIUSJDNBSYBKH-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.11
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 18143050) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID18143050
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cn2cncn2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H19N5O3/c1-14(25-17-4-2-3-5-18(17)28-20(25)27)19(26)22-10-15-6-8-16(9-7-15)11-24-13-21-12-23-24/h2-9,12-14H,10-11H2,1H3,(H,22,26)
InChIKeyAPIUSJDNBSYBKH-UHFFFAOYSA-N
XLogP2.11
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide with MolForge

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Related Compounds

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132322
(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 124754787
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
3-[(2S)-1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 124752478
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24613317
(2S)-2-amino-4-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 119838497
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (CID 18143050) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(Cn2cncn2)cc1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is APIUSJDNBSYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14(25-17-4-2-3-5-18(17)28-20(25)27)19(26)22-10-15-6-8-16(9-7-15)11-24-13-21-12-23-24/h2-9,12-14H,10-11H2,1H3,(H,22,26).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 377.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18143050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).