N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C18H23N3O4 — CID 814002

IUPACN-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)C(C)(C)C)cc1
InChIInChI=1S/C18H23N3O4/c1-12-10-15(20-25-12)19-16(22)11-21(18(2,3)4)17(23)13-6-8-14(24-5)9-7-13/h6-10H,11H2,1-5H3,(H,19,20,22)
InChIKeyXDFGGZGHTUYTEE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.87
Rot. Bonds5

About N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 814002) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID814002
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)C(C)(C)C)cc1
InChIInChI=1S/C18H23N3O4/c1-12-10-15(20-25-12)19-16(22)11-21(18(2,3)4)17(23)13-6-8-14(24-5)9-7-13/h6-10H,11H2,1-5H3,(H,19,20,22)
InChIKeyXDFGGZGHTUYTEE-UHFFFAOYSA-N
XLogP2.87
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5121971
N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768772
N-tert-butyl-2,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4518095
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5082068
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 42768952
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 814002) is N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is COc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is XDFGGZGHTUYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-10-15(20-25-12)19-16(22)11-21(18(2,3)4)17(23)13-6-8-14(24-5)9-7-13/h6-10H,11H2,1-5H3,(H,19,20,22).
What are the key properties of N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 814002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).