3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide

C21H24N4O3 — CID 133138608

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
SMILESCc1cc(C[C@H]2COC[C@H]2NC(=O)c2cccc(-n3nc(C)cc3C)c2)on1
InChIInChI=1S/C21H24N4O3/c1-13-7-15(3)25(23-13)18-6-4-5-16(9-18)21(26)22-20-12-27-11-17(20)10-19-8-14(2)24-28-19/h4-9,17,20H,10-12H2,1-3H3,(H,22,26)/t17-,20+/m0/s1
InChIKeyVRSITECQFRYOIG-FXAWDEMLSA-N
MW380.45 g/mol
LogP2.77
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide (PubChem CID 133138608) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
PubChem CID133138608
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
SMILESCc1cc(C[C@H]2COC[C@H]2NC(=O)c2cccc(-n3nc(C)cc3C)c2)on1
InChIInChI=1S/C21H24N4O3/c1-13-7-15(3)25(23-13)18-6-4-5-16(9-18)21(26)22-20-12-27-11-17(20)10-19-8-14(2)24-28-19/h4-9,17,20H,10-12H2,1-3H3,(H,22,26)/t17-,20+/m0/s1
InChIKeyVRSITECQFRYOIG-FXAWDEMLSA-N
XLogP2.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134701487
5-acetyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]thiophene-3-carboxamide
CID 72891636
3-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxophthalazine-1-carboxamide
CID 72927834
3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72863045
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
5-acetyl-2,4-dimethyl-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 133134089
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
CID 72870120
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
CID 58656859
CID 58656859

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide (CID 133138608) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide is Cc1cc(C[C@H]2COC[C@H]2NC(=O)c2cccc(-n3nc(C)cc3C)c2)on1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The InChIKey is VRSITECQFRYOIG-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-7-15(3)25(23-13)18-6-4-5-16(9-18)21(26)22-20-12-27-11-17(20)10-19-8-14(2)24-28-19/h4-9,17,20H,10-12H2,1-3H3,(H,22,26)/t17-,20+/m0/s1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide is sourced from PubChem (CID 133138608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).