1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea

C16H22N4O2 — CID 126427845

IUPAC1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC[C@@H](C)CNC(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C16H22N4O2/c1-4-12(2)10-18-16(21)20(3)11-14-9-15(19-22-14)13-5-7-17-8-6-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyOLHZVNSCQSQNRQ-GFCCVEGCSA-N
MW302.38 g/mol
LogP2.92
Rot. Bonds6

About 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea

1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 126427845) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID126427845
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC[C@@H](C)CNC(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C16H22N4O2/c1-4-12(2)10-18-16(21)20(3)11-14-9-15(19-22-14)13-5-7-17-8-6-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyOLHZVNSCQSQNRQ-GFCCVEGCSA-N
XLogP2.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 72837401
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
CID 97202176
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 124756945
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
CID 56915722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea (CID 126427845) is 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea is CC[C@@H](C)CNC(=O)N(C)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is OLHZVNSCQSQNRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-12(2)10-18-16(21)20(3)11-14-9-15(19-22-14)13-5-7-17-8-6-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea?
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 126427845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).