3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide

C21H23N3O3 — CID 134711744

IUPAC3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)on1
InChIInChI=1S/C21H23N3O3/c1-13(2)18-10-20(27-24-18)21(25)23-19-12-26-11-15(19)9-14-7-8-22-17-6-4-3-5-16(14)17/h3-8,10,13,15,19H,9,11-12H2,1-2H3,(H,23,25)/t15-,19+/m1/s1
InChIKeyVHONGSINYAERDW-BEFAXECRSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds5

About 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide

3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 134711744) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID134711744
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)on1
InChIInChI=1S/C21H23N3O3/c1-13(2)18-10-20(27-24-18)21(25)23-19-12-26-11-15(19)9-14-7-8-22-17-6-4-3-5-16(14)17/h3-8,10,13,15,19H,9,11-12H2,1-2H3,(H,23,25)/t15-,19+/m1/s1
InChIKeyVHONGSINYAERDW-BEFAXECRSA-N
XLogP3.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696924
5-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 135106187
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 135094707
3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide (CID 134711744) is 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)on1.
What is the InChIKey of 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is VHONGSINYAERDW-BEFAXECRSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)18-10-20(27-24-18)21(25)23-19-12-26-11-15(19)9-14-7-8-22-17-6-4-3-5-16(14)17/h3-8,10,13,15,19H,9,11-12H2,1-2H3,(H,23,25)/t15-,19+/m1/s1.
What are the key properties of 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide?
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134711744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).