N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide

C20H28N4O3 — CID 118768981

IUPACN-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide
SMILESCCCc1cc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)on1
InChIInChI=1S/C20H28N4O3/c1-6-8-14-11-15(27-24-14)12-21-19(26)22-17-10-7-9-16(13(17)2)18(25)23-20(3,4)5/h7,9-11H,6,8,12H2,1-5H3,(H,23,25)(H2,21,22,26)
InChIKeyWKDSWRUMBQETMM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds6

About N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide

N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide (PubChem CID 118768981) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide
PubChem CID118768981
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide
SMILESCCCc1cc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)on1
InChIInChI=1S/C20H28N4O3/c1-6-8-14-11-15(27-24-14)12-21-19(26)22-17-10-7-9-16(13(17)2)18(25)23-20(3,4)5/h7,9-11H,6,8,12H2,1-5H3,(H,23,25)(H2,21,22,26)
InChIKeyWKDSWRUMBQETMM-UHFFFAOYSA-N
XLogP3.79
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72850966
2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzoic acid
CID 62949243
N-tert-butyl-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbenzamide
CID 131899695
N-tert-butyl-3-(carbamothioylamino)-2-methylbenzamide
CID 169356943
N-tert-butyl-3-[[(E)-hex-3-enoyl]amino]-2-methylbenzamide
CID 50950554
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72898179
3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 75472679
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 90864078
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
CID 131914327
2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
CID 13229305

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide?
The IUPAC name of N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide (CID 118768981) is N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide is CCCc1cc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)on1.
What is the InChIKey of N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide?
The InChIKey is WKDSWRUMBQETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-6-8-14-11-15(27-24-14)12-21-19(26)22-17-10-7-9-16(13(17)2)18(25)23-20(3,4)5/h7,9-11H,6,8,12H2,1-5H3,(H,23,25)(H2,21,22,26).
What are the key properties of N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide?
N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 118768981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).