3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide

C19H22N2O4 — CID 91763043

IUPAC3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C2CC2)no1
InChIInChI=1S/C19H22N2O4/c22-19(17-10-16(21-25-17)14-6-7-14)20-15-8-9-23-12-18(15)24-11-13-4-2-1-3-5-13/h1-5,10,14-15,18H,6-9,11-12H2,(H,20,22)/t15-,18-/m1/s1
InChIKeySMKCQMWOMQVMNC-CRAIPNDOSA-N
MW342.40 g/mol
LogP2.66
Rot. Bonds6

About 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 91763043) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID91763043
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C2CC2)no1
InChIInChI=1S/C19H22N2O4/c22-19(17-10-16(21-25-17)14-6-7-14)20-15-8-9-23-12-18(15)24-11-13-4-2-1-3-5-13/h1-5,10,14-15,18H,6-9,11-12H2,(H,20,22)/t15-,18-/m1/s1
InChIKeySMKCQMWOMQVMNC-CRAIPNDOSA-N
XLogP2.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 91787671
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
CID 91775793
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide (CID 91763043) is 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SMKCQMWOMQVMNC-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-19(17-10-16(21-25-17)14-6-7-14)20-15-8-9-23-12-18(15)24-11-13-4-2-1-3-5-13/h1-5,10,14-15,18H,6-9,11-12H2,(H,20,22)/t15-,18-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91763043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).