1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea

C18H17N5O2 — CID 84597798

IUPAC1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCC(CC#N)N(C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C18H17N5O2/c1-12(8-9-19)23(2)18(24)21-13-6-7-14-16(11-13)25-17(22-14)15-5-3-4-10-20-15/h3-7,10-12H,8H2,1-2H3,(H,21,24)
InChIKeySBLDRXJLGRFSOZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.66
Rot. Bonds4

About 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea

1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea (PubChem CID 84597798) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
PubChem CID84597798
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCC(CC#N)N(C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C18H17N5O2/c1-12(8-9-19)23(2)18(24)21-13-6-7-14-16(11-13)25-17(22-14)15-5-3-4-10-20-15/h3-7,10-12H,8H2,1-2H3,(H,21,24)
InChIKeySBLDRXJLGRFSOZ-UHFFFAOYSA-N
XLogP3.66
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea with MolForge

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Related Compounds

N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
CID 146129396
1-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 97339290
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 63228357
4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63228672
4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
CID 122089064
1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea
CID 71857269
2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 166322453
1-(1-cyanopropan-2-yl)-1-methyl-3-(4-nitrophenyl)urea
CID 55174543
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 86797514
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102761
(3aR,7aS)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146150026

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea (CID 84597798) is 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea is CC(CC#N)N(C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea?
The InChIKey is SBLDRXJLGRFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(8-9-19)23(2)18(24)21-13-6-7-14-16(11-13)25-17(22-14)15-5-3-4-10-20-15/h3-7,10-12H,8H2,1-2H3,(H,21,24).
What are the key properties of 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea?
1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea has a molecular weight of 335.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 84597798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).