1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea

C17H25N3O5 — CID 125417379

IUPAC1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCOCC3)[C@@H]2O)c1
InChIInChI=1S/C17H25N3O5/c1-23-13-4-2-3-12(9-13)18-17(22)19-14-11-25-15(16(14)21)10-20-5-7-24-8-6-20/h2-4,9,14-16,21H,5-8,10-11H2,1H3,(H2,18,19,22)/t14-,15-,16+/m0/s1
InChIKeyMMDUFKXNIXMQAP-HRCADAONSA-N
MW351.40 g/mol
LogP0.28
Rot. Bonds5

About 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea

1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea (PubChem CID 125417379) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
PubChem CID125417379
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCOCC3)[C@@H]2O)c1
InChIInChI=1S/C17H25N3O5/c1-23-13-4-2-3-12(9-13)18-17(22)19-14-11-25-15(16(14)21)10-20-5-7-24-8-6-20/h2-4,9,14-16,21H,5-8,10-11H2,1H3,(H2,18,19,22)/t14-,15-,16+/m0/s1
InChIKeyMMDUFKXNIXMQAP-HRCADAONSA-N
XLogP0.28
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
CID 125416955
1-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162799957
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
CID 54640133
5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104239
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125416740
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea (CID 125417379) is 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCOCC3)[C@@H]2O)c1.
What is the InChIKey of 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is MMDUFKXNIXMQAP-HRCADAONSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-23-13-4-2-3-12(9-13)18-17(22)19-14-11-25-15(16(14)21)10-20-5-7-24-8-6-20/h2-4,9,14-16,21H,5-8,10-11H2,1H3,(H2,18,19,22)/t14-,15-,16+/m0/s1.
What are the key properties of 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea?
1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 351.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 125417379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).