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

C18H25N3O2 — CID 97317222

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
SMILESCc1nc(NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)oc1C
InChIInChI=1S/C18H25N3O2/c1-12-13(2)23-17(19-12)21-16(22)20-15(18(3,4)5)11-14-9-7-6-8-10-14/h6-10,15H,11H2,1-5H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyFPDPIPSJLJRCHM-HNNXBMFYSA-N
MW315.42 g/mol
LogP4.07
Rot. Bonds4

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea (PubChem CID 97317222) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
PubChem CID97317222
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
SMILESCc1nc(NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)oc1C
InChIInChI=1S/C18H25N3O2/c1-12-13(2)23-17(19-12)21-16(22)20-15(18(3,4)5)11-14-9-7-6-8-10-14/h6-10,15H,11H2,1-5H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyFPDPIPSJLJRCHM-HNNXBMFYSA-N
XLogP4.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
CID 71847486
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CID 98875017
N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]-2-methylpropanamide;3-methylbutan-2-one
CID 158654008
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine
CID 166925324
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CID 97236964
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
CID 111336661
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148
1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
CID 111422968
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702199
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea (CID 97317222) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea is Cc1nc(NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea?
The InChIKey is FPDPIPSJLJRCHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-13(2)23-17(19-12)21-16(22)20-15(18(3,4)5)11-14-9-7-6-8-10-14/h6-10,15H,11H2,1-5H3,(H2,19,20,21,22)/t15-/m0/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea has a molecular weight of 315.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea is sourced from PubChem (CID 97317222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).