N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide

C19H25N3O3 — CID 131899695

IUPACN-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H25N3O3/c1-11-14(18(24)21-19(4,5)6)8-7-9-16(11)20-17(23)10-15-12(2)22-25-13(15)3/h7-9H,10H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyVHSKISKNJPDSQH-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.31
Rot. Bonds4

About N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide

N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide (PubChem CID 131899695) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide
PubChem CID131899695
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H25N3O3/c1-11-14(18(24)21-19(4,5)6)8-7-9-16(11)20-17(23)10-15-12(2)22-25-13(15)3/h7-9H,10H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyVHSKISKNJPDSQH-UHFFFAOYSA-N
XLogP3.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
N-tert-butyl-3-[[(E)-hex-3-enoyl]amino]-2-methylbenzamide
CID 50950554
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107240
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
N-tert-butyl-3-(carbamothioylamino)-2-methylbenzamide
CID 169356943
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzamide
CID 9113968
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide
CID 118768981
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methylthiophen-2-yl)-3-pyridinyl]acetamide
CID 99823514
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide?
The IUPAC name of N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide (CID 131899695) is N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide is Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide?
The InChIKey is VHSKISKNJPDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11-14(18(24)21-19(4,5)6)8-7-9-16(11)20-17(23)10-15-12(2)22-25-13(15)3/h7-9H,10H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide?
N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide has a molecular weight of 343.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 131899695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).