(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone

C16H18N2O4 — CID 97066824

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)o1
InChIInChI=1S/C16H18N2O4/c1-10-15(22-11(2)17-10)16(20)18-6-7-21-14(9-18)12-4-3-5-13(19)8-12/h3-5,8,14,19H,6-7,9H2,1-2H3/t14-/m1/s1
InChIKeyYVWHXJYMVQROBY-CQSZACIVSA-N
MW302.33 g/mol
LogP2.21
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone (PubChem CID 97066824) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
PubChem CID97066824
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)o1
InChIInChI=1S/C16H18N2O4/c1-10-15(22-11(2)17-10)16(20)18-6-7-21-14(9-18)12-4-3-5-13(19)8-12/h3-5,8,14,19H,6-7,9H2,1-2H3/t14-/m1/s1
InChIKeyYVWHXJYMVQROBY-CQSZACIVSA-N
XLogP2.21
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124976131
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 124622379
[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 122139221
6-cyclopropyl-4-[2-(3-hydroxyphenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 127904119
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 99641671
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 35270139
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 52996803
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone (CID 97066824) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone is Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The InChIKey is YVWHXJYMVQROBY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-15(22-11(2)17-10)16(20)18-6-7-21-14(9-18)12-4-3-5-13(19)8-12/h3-5,8,14,19H,6-7,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone has a molecular weight of 302.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 97066824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).