1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea

C12H14N4O2 — CID 94017430

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2cccnc2)no1
InChIInChI=1S/C12H14N4O2/c1-8-6-11(16-18-8)15-12(17)14-9(2)10-4-3-5-13-7-10/h3-7,9H,1-2H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyPXBUXLMGDQSSFH-VIFPVBQESA-N
MW246.27 g/mol
LogP2.26
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 94017430) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID94017430
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2cccnc2)no1
InChIInChI=1S/C12H14N4O2/c1-8-6-11(16-18-8)15-12(17)14-9(2)10-4-3-5-13-7-10/h3-7,9H,1-2H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyPXBUXLMGDQSSFH-VIFPVBQESA-N
XLogP2.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
1-[(1S)-1-pyridin-3-ylethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 99604871
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 124615499
1-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95132957
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
CID 86800389

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 94017430) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea is Cc1cc(NC(=O)N[C@@H](C)c2cccnc2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is PXBUXLMGDQSSFH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-6-11(16-18-8)15-12(17)14-9(2)10-4-3-5-13-7-10/h3-7,9H,1-2H3,(H2,14,15,16,17)/t9-/m0/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 246.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 94017430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).