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

C15H18FN3O2 — CID 97314301

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-9(12-5-4-6-13(16)7-12)18-15(20)17-8-14-10(2)19-21-11(14)3/h4-7,9H,8H2,1-3H3,(H2,17,18,20)/t9-/m1/s1
InChIKeyCGFCTSISXJYZEI-SECBINFHSA-N
MW291.33 g/mol
LogP2.99
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea (PubChem CID 97314301) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
PubChem CID97314301
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-9(12-5-4-6-13(16)7-12)18-15(20)17-8-14-10(2)19-21-11(14)3/h4-7,9H,8H2,1-3H3,(H2,17,18,20)/t9-/m1/s1
InChIKeyCGFCTSISXJYZEI-SECBINFHSA-N
XLogP2.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.99
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-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
CID 95615935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79231131
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
5-[1-(3-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686420

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea (CID 97314301) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea is Cc1noc(C)c1CNC(=O)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The InChIKey is CGFCTSISXJYZEI-SECBINFHSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(12-5-4-6-13(16)7-12)18-15(20)17-8-14-10(2)19-21-11(14)3/h4-7,9H,8H2,1-3H3,(H2,17,18,20)/t9-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea has a molecular weight of 291.33 g/mol, XLogP of 2.99, 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-[(1R)-1-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 97314301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).