1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea

C16H21FN2O2 — CID 94666558

IUPAC1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCC1CC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C16H21FN2O2/c17-13-7-5-12(6-8-13)15(14-2-1-9-21-14)19-16(20)18-10-11-3-4-11/h5-8,11,14-15H,1-4,9-10H2,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyMJRGGTZFINQMRF-CABCVRRESA-N
MW292.35 g/mol
LogP2.76
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea

1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 94666558) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
PubChem CID94666558
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCC1CC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C16H21FN2O2/c17-13-7-5-12(6-8-13)15(14-2-1-9-21-14)19-16(20)18-10-11-3-4-11/h5-8,11,14-15H,1-4,9-10H2,(H2,18,19,20)/t14-,15+/m1/s1
InChIKeyMJRGGTZFINQMRF-CABCVRRESA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 94337716
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581
1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544021
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(2-imidazol-1-ylethyl)urea
CID 94666682
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94666661
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547597
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea (CID 94666558) is 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea is O=C(NCC1CC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is MJRGGTZFINQMRF-CABCVRRESA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-7-5-12(6-8-13)15(14-2-1-9-21-14)19-16(20)18-10-11-3-4-11/h5-8,11,14-15H,1-4,9-10H2,(H2,18,19,20)/t14-,15+/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea?
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 292.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94666558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).