(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C19H24ClN3O3 — CID 52510327

IUPAC(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NCC2(c3ccc(Cl)cc3)CCOCC2)on1
InChIInChI=1S/C19H24ClN3O3/c1-13-11-17(26-23-13)22-18(24)14(2)21-12-19(7-9-25-10-8-19)15-3-5-16(20)6-4-15/h3-6,11,14,21H,7-10,12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyVRQWPVXOVQROKQ-AWEZNQCLSA-N
MW377.87 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 52510327) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID52510327
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NCC2(c3ccc(Cl)cc3)CCOCC2)on1
InChIInChI=1S/C19H24ClN3O3/c1-13-11-17(26-23-13)22-18(24)14(2)21-12-19(7-9-25-10-8-19)15-3-5-16(20)6-4-15/h3-6,11,14,21H,7-10,12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyVRQWPVXOVQROKQ-AWEZNQCLSA-N
XLogP3.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52510463
2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
CID 47487314
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 86845463
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 52510327) is (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)NCC2(c3ccc(Cl)cc3)CCOCC2)on1.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is VRQWPVXOVQROKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13-11-17(26-23-13)22-18(24)14(2)21-12-19(7-9-25-10-8-19)15-3-5-16(20)6-4-15/h3-6,11,14,21H,7-10,12H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 377.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 52510327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).