1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C10H14N6O2 — CID 94031370

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2nncn2C)no1
InChIInChI=1S/C10H14N6O2/c1-6-4-8(15-18-6)13-10(17)12-7(2)9-14-11-5-16(9)3/h4-5,7H,1-3H3,(H2,12,13,15,17)/t7-/m0/s1
InChIKeyYCHKMLZXYKBYJC-ZETCQYMHSA-N
MW250.26 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 94031370) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID94031370
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2nncn2C)no1
InChIInChI=1S/C10H14N6O2/c1-6-4-8(15-18-6)13-10(17)12-7(2)9-14-11-5-16(9)3/h4-5,7H,1-3H3,(H2,12,13,15,17)/t7-/m0/s1
InChIKeyYCHKMLZXYKBYJC-ZETCQYMHSA-N
XLogP0.99
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-[4-(aminomethyl)phenyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 62118708
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
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1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 90647818
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
2-hydroxy-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 66165937
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 94031370) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is Cc1cc(NC(=O)N[C@@H](C)c2nncn2C)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is YCHKMLZXYKBYJC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6-4-8(15-18-6)13-10(17)12-7(2)9-14-11-5-16(9)3/h4-5,7H,1-3H3,(H2,12,13,15,17)/t7-/m0/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 250.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 94031370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).