4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide

C16H19N3O3 — CID 82070037

IUPAC4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCc2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O3/c1-4-7-18-16(20)12-5-6-14(17)15(8-12)21-9-13-10(2)19-22-11(13)3/h4-6,8H,1,7,9,17H2,2-3H3,(H,18,20)
InChIKeyKPTKBWIHSUNUBX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.37
Rot. Bonds6

About 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide

4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide (PubChem CID 82070037) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
PubChem CID82070037
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCc2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O3/c1-4-7-18-16(20)12-5-6-14(17)15(8-12)21-9-13-10(2)19-22-11(13)3/h4-6,8H,1,7,9,17H2,2-3H3,(H,18,20)
InChIKeyKPTKBWIHSUNUBX-UHFFFAOYSA-N
XLogP2.37
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
CID 93216570
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-iodobenzoic acid
CID 114103458
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide?
The IUPAC name of 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide (CID 82070037) is 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N)c(OCc2c(C)noc2C)c1.
What is the InChIKey of 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide?
The InChIKey is KPTKBWIHSUNUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-7-18-16(20)12-5-6-14(17)15(8-12)21-9-13-10(2)19-22-11(13)3/h4-6,8H,1,7,9,17H2,2-3H3,(H,18,20).
What are the key properties of 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide?
4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide is sourced from PubChem (CID 82070037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).