[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C18H22N2O3 — CID 97023947

IUPAC[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-12(2)17-16(19-11-23-17)18(21)20-9-13(3)22-10-15(20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyNYGMNCKHHHDTPW-UKRRQHHQSA-N
MW314.39 g/mol
LogP3.40
Rot. Bonds3

About [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 97023947) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID97023947
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-12(2)17-16(19-11-23-17)18(21)20-9-13(3)22-10-15(20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyNYGMNCKHHHDTPW-UKRRQHHQSA-N
XLogP3.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-{[4-(3-acetamidophenyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 24901451
4-{[5-(4-Methylphenyl)-1,3-oxazol-4-yl]carbonyl}morpholine
CID 20963512
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(propan-2-yl)-1,3-oxazole-4-carboxamide
CID 24901450
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N,N-dimethyl-1,3-oxazole-4-carboxamide
CID 44432434
[5-Methyl-2-(3-phenylpropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 169260042
1-(2,3-Difluorobenzyl)-4-{1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-3-pyrrolidinyl}piperidine
CID 45180685
4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45201046
2-Benzyl-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]morpholine
CID 45223255
4-[(5-Cyclopropyl-1,3-oxazol-4-yl)carbonyl]-1-(4-fluorobenzyl)-2-isopropyl-1,4-diazepane
CID 56914991
1-[(5-Cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4-(2-phenoxyethyl)piperazine
CID 70720998
(4-{1-[(2,5-Dimethyl-1,3-oxazol-4-yl)carbonyl]-2-piperidinyl}benzyl)dimethylamine
CID 70755711
1-[(5-Cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4-(3-phenylpropyl)-1,4-diazepane
CID 70772243

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 97023947) is [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is NYGMNCKHHHDTPW-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)17-16(19-11-23-17)18(21)20-9-13(3)22-10-15(20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 97023947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).