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

C17H23N3O2 — CID 95615935

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
SMILESCc1cc(C)cc([C@H](C)NC(=O)NCc2c(C)noc2C)c1
InChIInChI=1S/C17H23N3O2/c1-10-6-11(2)8-15(7-10)12(3)19-17(21)18-9-16-13(4)20-22-14(16)5/h6-8,12H,9H2,1-5H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRTNAPPJBXGGKSE-LBPRGKRZSA-N
MW301.39 g/mol
LogP3.47
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea (PubChem CID 95615935) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
PubChem CID95615935
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
SMILESCc1cc(C)cc([C@H](C)NC(=O)NCc2c(C)noc2C)c1
InChIInChI=1S/C17H23N3O2/c1-10-6-11(2)8-15(7-10)12(3)19-17(21)18-9-16-13(4)20-22-14(16)5/h6-8,12H,9H2,1-5H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRTNAPPJBXGGKSE-LBPRGKRZSA-N
XLogP3.47
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
CID 97314301
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79231131
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
CID 79238382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea
CID 138010015
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,5-dimethylphenyl)ethanol
CID 111472429
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea (CID 95615935) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea is Cc1cc(C)cc([C@H](C)NC(=O)NCc2c(C)noc2C)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea?
The InChIKey is RTNAPPJBXGGKSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-6-11(2)8-15(7-10)12(3)19-17(21)18-9-16-13(4)20-22-14(16)5/h6-8,12H,9H2,1-5H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea has a molecular weight of 301.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 95615935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).