N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C24H27N3O3 — CID 30531633

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H27N3O3/c28-23(11-12-24-26-16-22(30-24)20-9-5-2-6-10-20)25-15-21-18-27(13-14-29-21)17-19-7-3-1-4-8-19/h1-10,16,21H,11-15,17-18H2,(H,25,28)/t21-/m0/s1
InChIKeyXBRIGDRJNCRQFE-NRFANRHFSA-N
MW405.50 g/mol
LogP3.29
Rot. Bonds8

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 30531633) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID30531633
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H27N3O3/c28-23(11-12-24-26-16-22(30-24)20-9-5-2-6-10-20)25-15-21-18-27(13-14-29-21)17-19-7-3-1-4-8-19/h1-10,16,21H,11-15,17-18H2,(H,25,28)/t21-/m0/s1
InChIKeyXBRIGDRJNCRQFE-NRFANRHFSA-N
XLogP3.29
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55522516
3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
CID 39460836
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 35053989
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 47017345
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 30531633) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is XBRIGDRJNCRQFE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23(11-12-24-26-16-22(30-24)20-9-5-2-6-10-20)25-15-21-18-27(13-14-29-21)17-19-7-3-1-4-8-19/h1-10,16,21H,11-15,17-18H2,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 30531633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).