1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C15H18N6O2 — CID 95774144

IUPAC1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1noc(C)c1C[C@@H](C)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C15H18N6O2/c1-9(8-12-10(2)20-23-11(12)3)16-15(22)17-14-19-18-13-6-4-5-7-21(13)14/h4-7,9H,8H2,1-3H3,(H2,16,17,19,22)/t9-/m1/s1
InChIKeyONVNOOOFOYXZNX-SECBINFHSA-N
MW314.35 g/mol
LogP2.09
Rot. Bonds4

About 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 95774144) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID95774144
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1noc(C)c1C[C@@H](C)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C15H18N6O2/c1-9(8-12-10(2)20-23-11(12)3)16-15(22)17-14-19-18-13-6-4-5-7-21(13)14/h4-7,9H,8H2,1-3H3,(H2,16,17,19,22)/t9-/m1/s1
InChIKeyONVNOOOFOYXZNX-SECBINFHSA-N
XLogP2.09
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea with MolForge

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Related Compounds

1-[(1S)-2-methylsulfanyl-1-phenylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95773517
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 126814377
1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 75494169
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 55452303
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328707
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328708
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 134030763
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111795023
1-(5-chloro-8-methylquinolin-2-yl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 86814785
1-(2-chloro-5-nitrophenyl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 75398051

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 95774144) is 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1nnc2ccccn12.
What is the InChIKey of 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is ONVNOOOFOYXZNX-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9(8-12-10(2)20-23-11(12)3)16-15(22)17-14-19-18-13-6-4-5-7-21(13)14/h4-7,9H,8H2,1-3H3,(H2,16,17,19,22)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 314.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 95774144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).