1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea

C13H18N2O3 — CID 129397872

IUPAC1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H18N2O3/c1-10-4-2-3-5-11(10)15-12(16)14-8-13(17)6-7-18-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyWZKUSELSTRTHHA-CYBMUJFWSA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea (PubChem CID 129397872) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
PubChem CID129397872
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H18N2O3/c1-10-4-2-3-5-11(10)15-12(16)14-8-13(17)6-7-18-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyWZKUSELSTRTHHA-CYBMUJFWSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 110936098
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea (CID 129397872) is 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC[C@]1(O)CCOC1.
What is the InChIKey of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea?
The InChIKey is WZKUSELSTRTHHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-4-2-3-5-11(10)15-12(16)14-8-13(17)6-7-18-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea?
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea has a molecular weight of 250.30 g/mol, XLogP of 1.27, 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-(2-methylphenyl)urea is sourced from PubChem (CID 129397872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).