3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide

C10H11N5O3 — CID 137218799

IUPAC3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)no1
InChIInChI=1S/C10H11N5O3/c16-9(11-4-8-12-10(17)14-13-8)7-3-6(15-18-7)5-1-2-5/h3,5H,1-2,4H2,(H,11,16)(H2,12,13,14,17)
InChIKeyUADDISMAVHCPCB-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.11
Rot. Bonds4

About 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 137218799) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID137218799
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)no1
InChIInChI=1S/C10H11N5O3/c16-9(11-4-8-12-10(17)14-13-8)7-3-6(15-18-7)5-1-2-5/h3,5H,1-2,4H2,(H,11,16)(H2,12,13,14,17)
InChIKeyUADDISMAVHCPCB-UHFFFAOYSA-N
XLogP-0.11
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide
CID 123750743
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92572794
3,5-dibromo-4-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 138044542
3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide
CID 132984217
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 131935565
1-cyclopropyl-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiourea
CID 137257557
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 136993204
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92569566
3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92577470
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 137218799) is 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UADDISMAVHCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-9(11-4-8-12-10(17)14-13-8)7-3-6(15-18-7)5-1-2-5/h3,5H,1-2,4H2,(H,11,16)(H2,12,13,14,17).
What are the key properties of 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 137218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).