tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate

C18H25N3O5 — CID 110608078

IUPACtert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H25N3O5/c1-10(2)14(20-16(23)26-18(3,4)5)15(22)19-11-7-8-13-12(9-11)21(6)17(24)25-13/h7-10,14H,1-6H3,(H,19,22)(H,20,23)
InChIKeyMHQBHERUPDOLEX-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate (PubChem CID 110608078) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
PubChem CID110608078
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nametert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H25N3O5/c1-10(2)14(20-16(23)26-18(3,4)5)15(22)19-11-7-8-13-12(9-11)21(6)17(24)25-13/h7-10,14H,1-6H3,(H,19,22)(H,20,23)
InChIKeyMHQBHERUPDOLEX-UHFFFAOYSA-N
XLogP2.62
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147
tert-butyl N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110677956
tert-butyl N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 102474491
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
CID 110411045
tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
CID 110613795
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
tert-butyl N-[(2S)-3-methyl-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxobutan-2-yl]carbamate
CID 156779332
tert-butyl N-[1-amino-3-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]-1-oxopropan-2-yl]carbamate
CID 118260123
tert-butyl N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]carbamate
CID 118260031
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 95597501
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110677963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate (CID 110608078) is tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is MHQBHERUPDOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-10(2)14(20-16(23)26-18(3,4)5)15(22)19-11-7-8-13-12(9-11)21(6)17(24)25-13/h7-10,14H,1-6H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 363.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 110608078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).