1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea

C12H16N2O3 — CID 129397628

IUPAC1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@]1(O)CCOC1)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c15-11(14-10-4-2-1-3-5-10)13-8-12(16)6-7-17-9-12/h1-5,16H,6-9H2,(H2,13,14,15)/t12-/m1/s1
InChIKeyOTNLIKVFGZWPDU-GFCCVEGCSA-N
MW236.27 g/mol
LogP0.96
Rot. Bonds3

About 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea (PubChem CID 129397628) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
PubChem CID129397628
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@]1(O)CCOC1)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c15-11(14-10-4-2-1-3-5-10)13-8-12(16)6-7-17-9-12/h1-5,16H,6-9H2,(H2,13,14,15)/t12-/m1/s1
InChIKeyOTNLIKVFGZWPDU-GFCCVEGCSA-N
XLogP0.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea (CID 129397628) is 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea is O=C(NC[C@]1(O)CCOC1)Nc1ccccc1.
What is the InChIKey of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea?
The InChIKey is OTNLIKVFGZWPDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(14-10-4-2-1-3-5-10)13-8-12(16)6-7-17-9-12/h1-5,16H,6-9H2,(H2,13,14,15)/t12-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea?
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea has a molecular weight of 236.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea is sourced from PubChem (CID 129397628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).