3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea

C19H20N4O2 — CID 95163358

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCc1nc(NC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)oc1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)25-18(21-13)22-19(24)23(3)17(15-9-5-4-6-10-15)16-11-7-8-12-20-16/h4-12,17H,1-3H3,(H,21,22,24)/t17-/m0/s1
InChIKeyBDFDYHOEAMGQFZ-KRWDZBQOSA-N
MW336.40 g/mol
LogP3.94
Rot. Bonds4

About 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea

3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea (PubChem CID 95163358) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
PubChem CID95163358
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCc1nc(NC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)oc1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)25-18(21-13)22-19(24)23(3)17(15-9-5-4-6-10-15)16-11-7-8-12-20-16/h4-12,17H,1-3H3,(H,21,22,24)/t17-/m0/s1
InChIKeyBDFDYHOEAMGQFZ-KRWDZBQOSA-N
XLogP3.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
CID 55767309
N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55881727
N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide
CID 100646585
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51956913
N-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 94822267
4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55767365
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea (CID 95163358) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea is Cc1nc(NC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)oc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is BDFDYHOEAMGQFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-14(2)25-18(21-13)22-19(24)23(3)17(15-9-5-4-6-10-15)16-11-7-8-12-20-16/h4-12,17H,1-3H3,(H,21,22,24)/t17-/m0/s1.
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 95163358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).