1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea

C19H23N3O4 — CID 75536774

IUPAC1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4/c23-16-9-5-4-6-13(16)10-20-15-12-26-17(18(15)24)11-21-19(25)22-14-7-2-1-3-8-14/h1-9,15,17-18,20,23-24H,10-12H2,(H2,21,22,25)/t15-,17-,18+/m1/s1
InChIKeyHZBSTGWVMJYDAF-NXHRZFHOSA-N
MW357.41 g/mol
LogP1.43
Rot. Bonds6

About 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea

1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea (PubChem CID 75536774) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea
PubChem CID75536774
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4/c23-16-9-5-4-6-13(16)10-20-15-12-26-17(18(15)24)11-21-19(25)22-14-7-2-1-3-8-14/h1-9,15,17-18,20,23-24H,10-12H2,(H2,21,22,25)/t15-,17-,18+/m1/s1
InChIKeyHZBSTGWVMJYDAF-NXHRZFHOSA-N
XLogP1.43
TPSA102.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
N-[[4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 162789837
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]acetamide
CID 40777917
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-phenylurea
CID 28961556
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-phenylurea;hydrochloride
CID 146118645
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
2-[3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 74451304

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea (CID 75536774) is 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)Nc1ccccc1.
What is the InChIKey of 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea?
The InChIKey is HZBSTGWVMJYDAF-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-16-9-5-4-6-13(16)10-20-15-12-26-17(18(15)24)11-21-19(25)22-14-7-2-1-3-8-14/h1-9,15,17-18,20,23-24H,10-12H2,(H2,21,22,25)/t15-,17-,18+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea?
1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea has a molecular weight of 357.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 75536774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).