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

C16H18FN3O3 — CID 95772322

IUPAC1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)no1
InChIInChI=1S/C16H18FN3O3/c1-10-8-15(19-23-10)18-16(22)20(13-6-7-13)9-14(21)11-2-4-12(17)5-3-11/h2-5,8,13-14,21H,6-7,9H2,1H3,(H,18,19,22)/t14-/m0/s1
InChIKeyKQHJEFXSVVXCQU-AWEZNQCLSA-N
MW319.34 g/mol
LogP2.85
Rot. Bonds5

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

1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 95772322) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID95772322
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)no1
InChIInChI=1S/C16H18FN3O3/c1-10-8-15(19-23-10)18-16(22)20(13-6-7-13)9-14(21)11-2-4-12(17)5-3-11/h2-5,8,13-14,21H,6-7,9H2,1H3,(H,18,19,22)/t14-/m0/s1
InChIKeyKQHJEFXSVVXCQU-AWEZNQCLSA-N
XLogP2.85
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111795159
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111795178
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
CID 167971400
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
N-cyclopropyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 42768931
(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110353842
1-cyclopentyl-1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51105727
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 96529450
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
CID 138016901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 95772322) is 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)no1.
What is the InChIKey of 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is KQHJEFXSVVXCQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-8-15(19-23-10)18-16(22)20(13-6-7-13)9-14(21)11-2-4-12(17)5-3-11/h2-5,8,13-14,21H,6-7,9H2,1H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 319.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 95772322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).