5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C20H21N3O4 — CID 72858491

IUPAC5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(-c3ccccc3)noc2C)on1
InChIInChI=1S/C20H21N3O4/c1-12-8-16(27-22-12)9-15-10-25-11-17(15)21-20(24)18-13(2)26-23-19(18)14-6-4-3-5-7-14/h3-8,15,17H,9-11H2,1-2H3,(H,21,24)/t15-,17+/m1/s1
InChIKeyQZGDVMQTLWXXNF-WBVHZDCISA-N
MW367.41 g/mol
LogP2.93
Rot. Bonds5

About 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 72858491) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID72858491
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(-c3ccccc3)noc2C)on1
InChIInChI=1S/C20H21N3O4/c1-12-8-16(27-22-12)9-15-10-25-11-17(15)21-20(24)18-13(2)26-23-19(18)14-6-4-3-5-7-14/h3-8,15,17H,9-11H2,1-2H3,(H,21,24)/t15-,17+/m1/s1
InChIKeyQZGDVMQTLWXXNF-WBVHZDCISA-N
XLogP2.93
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 72858491) is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(-c3ccccc3)noc2C)on1.
What is the InChIKey of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is QZGDVMQTLWXXNF-WBVHZDCISA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-8-16(27-22-12)9-15-10-25-11-17(15)21-20(24)18-13(2)26-23-19(18)14-6-4-3-5-7-14/h3-8,15,17H,9-11H2,1-2H3,(H,21,24)/t15-,17+/m1/s1.
What are the key properties of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 72858491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).