1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea

C18H24N4O3 — CID 96835180

IUPAC1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H24N4O3/c1-14(20-18(23)19-11-16-7-9-25-21-16)17-13-22(8-10-24-17)12-15-5-3-2-4-6-15/h2-7,9,14,17H,8,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyABOBIZVFTWRAKM-PBHICJAKSA-N
MW344.42 g/mol
LogP1.76
Rot. Bonds6

About 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 96835180) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID96835180
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H24N4O3/c1-14(20-18(23)19-11-16-7-9-25-21-16)17-13-22(8-10-24-17)12-15-5-3-2-4-6-15/h2-7,9,14,17H,8,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyABOBIZVFTWRAKM-PBHICJAKSA-N
XLogP1.76
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea with MolForge

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Related Compounds

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
CID 95981592
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 95981601
1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 71865034
N-[(1R)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 95775940
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[[1-(4-benzylmorpholin-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 84587815
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
(1R)-1-[(2R)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229017
(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229015

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 96835180) is 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea is C[C@@H](NC(=O)NCc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is ABOBIZVFTWRAKM-PBHICJAKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14(20-18(23)19-11-16-7-9-25-21-16)17-13-22(8-10-24-17)12-15-5-3-2-4-6-15/h2-7,9,14,17H,8,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1.
What are the key properties of 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 344.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 96835180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).