(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H24N2O3 — CID 26350532

IUPAC(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CC(Cc2cccc3ccccc23)=NO1
InChIInChI=1S/C21H24N2O3/c24-21(22-14-15-8-10-25-11-9-15)20-13-18(23-26-20)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,15,20H,8-14H2,(H,22,24)/t20-/m0/s1
InChIKeyBHPGFPIWQGJPCL-FQEVSTJZSA-N
MW352.43 g/mol
LogP3.07
Rot. Bonds5

About (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 26350532) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID26350532
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CC(Cc2cccc3ccccc23)=NO1
InChIInChI=1S/C21H24N2O3/c24-21(22-14-15-8-10-25-11-9-15)20-13-18(23-26-20)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,15,20H,8-14H2,(H,22,24)/t20-/m0/s1
InChIKeyBHPGFPIWQGJPCL-FQEVSTJZSA-N
XLogP3.07
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 118754931
(5R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169806
(5R)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42366800
3-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45191142
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944
N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 55668469
(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
CID 95813104
(5R)-3-[(2-chlorophenyl)methyl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42498615
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
3-(1,3-benzodioxol-5-ylmethyl)-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 118757413
(3S)-N-(oxan-4-ylmethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 125167141

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 26350532) is (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCC1CCOCC1)[C@@H]1CC(Cc2cccc3ccccc23)=NO1.
What is the InChIKey of (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BHPGFPIWQGJPCL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(22-14-15-8-10-25-11-9-15)20-13-18(23-26-20)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,15,20H,8-14H2,(H,22,24)/t20-/m0/s1.
What are the key properties of (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(naphthalen-1-ylmethyl)-N-(oxan-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26350532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).