tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate

C16H27N3O4 — CID 175479004

IUPACtert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
SMILESCCCCC(C)(CNC(=O)c1ccon1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-6-7-9-16(5,18-14(21)23-15(2,3)4)11-17-13(20)12-8-10-22-19-12/h8,10H,6-7,9,11H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyOXEODNJDSKVJHN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds7

About tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate

tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate (PubChem CID 175479004) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
PubChem CID175479004
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
SMILESCCCCC(C)(CNC(=O)c1ccon1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-6-7-9-16(5,18-14(21)23-15(2,3)4)11-17-13(20)12-8-10-22-19-12/h8,10H,6-7,9,11H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyOXEODNJDSKVJHN-UHFFFAOYSA-N
XLogP2.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
CID 169195889
N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
CID 75422005
tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate (CID 175479004) is tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate is CCCCC(C)(CNC(=O)c1ccon1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate?
The InChIKey is OXEODNJDSKVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-6-7-9-16(5,18-14(21)23-15(2,3)4)11-17-13(20)12-8-10-22-19-12/h8,10H,6-7,9,11H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate is sourced from PubChem (CID 175479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).