(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide

C20H22N2O3 — CID 95618392

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O3/c1-12(19-13(2)22-25-14(19)3)20(24)21-11-18(23)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12,18,23H,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1
InChIKeyRRZHGPGAYQZGKV-KZULUSFZSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds5

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide (PubChem CID 95618392) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
PubChem CID95618392
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O3/c1-12(19-13(2)22-25-14(19)3)20(24)21-11-18(23)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12,18,23H,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1
InChIKeyRRZHGPGAYQZGKV-KZULUSFZSA-N
XLogP3.40
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 111112198
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 95189519
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784791
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
CID 97227615
(2S)-N-[(S)-(4-bromophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 52537710
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
3,5-dimethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,2-oxazole-4-carboxamide
CID 154875332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide (CID 95618392) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide is Cc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide?
The InChIKey is RRZHGPGAYQZGKV-KZULUSFZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(19-13(2)22-25-14(19)3)20(24)21-11-18(23)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12,18,23H,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide is sourced from PubChem (CID 95618392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).