5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

C16H20N2O3 — CID 100632561

IUPAC5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O
InChIInChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRUDCBLLBSDELHT-NSHDSACASA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds5

About 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 100632561) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID100632561
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O
InChIInChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRUDCBLLBSDELHT-NSHDSACASA-N
XLogP2.88
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (CID 100632561) is 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is CCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O.
What is the InChIKey of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is RUDCBLLBSDELHT-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100632561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).