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

C16H21N3O3 — CID 97071064

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1
InChIInChI=1S/C16H21N3O3/c1-10-5-6-13(19-16(20)18-11(2)8-21-4)7-14(10)15-17-12(3)9-22-15/h5-7,9,11H,8H2,1-4H3,(H2,18,19,20)/t11-/m0/s1
InChIKeyNLILZIFTITUTBV-NSHDSACASA-N
MW303.36 g/mol
LogP3.11
Rot. Bonds5

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

1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 97071064) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID97071064
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1
InChIInChI=1S/C16H21N3O3/c1-10-5-6-13(19-16(20)18-11(2)8-21-4)7-14(10)15-17-12(3)9-22-15/h5-7,9,11H,8H2,1-4H3,(H2,18,19,20)/t11-/m0/s1
InChIKeyNLILZIFTITUTBV-NSHDSACASA-N
XLogP3.11
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 53610188
3-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-phenylurea
CID 16027784
1-Cyclopropyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 53580115
4-Methyl-3-(1,3-oxazol-2-yl)aniline
CID 61393319
3-(4-Methyl-1,3-oxazol-2-yl)aniline
CID 64387553
3-{[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-1-phenylurea
CID 16027840
N-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N'-phenylurea
CID 16027874
1-Cyclohexyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 16027876
1-(2,3-Dimethylphenyl)-3-methyl-3-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-YL]methyl}urea
CID 46344237
N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51100801
1-Cyclopropyl-3-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 53545017
1-[2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxycyclohexyl)urea
CID 53550711

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 97071064) is 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea is COC[C@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is NLILZIFTITUTBV-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-5-6-13(19-16(20)18-11(2)8-21-4)7-14(10)15-17-12(3)9-22-15/h5-7,9,11H,8H2,1-4H3,(H2,18,19,20)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 303.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 97071064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).