tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate

C15H26N2O3 — CID 170534884

IUPACtert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
SMILESCc1cc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H26N2O3/c1-10(2)7-12(9-13-8-11(3)20-17-13)16-14(18)19-15(4,5)6/h8,10,12H,7,9H2,1-6H3,(H,16,18)/t12-/m0/s1
InChIKeyBHGMLUMEDADVFW-LBPRGKRZSA-N
MW282.38 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate (PubChem CID 170534884) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
PubChem CID170534884
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
SMILESCc1cc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H26N2O3/c1-10(2)7-12(9-13-8-11(3)20-17-13)16-14(18)19-15(4,5)6/h8,10,12H,7,9H2,1-6H3,(H,16,18)/t12-/m0/s1
InChIKeyBHGMLUMEDADVFW-LBPRGKRZSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
CID 167047360
tert-butyl N-[4-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamate
CID 87010955
tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate
CID 141448099
tert-butyl N-[5-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentyl]carbamate
CID 103389660
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110677963
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl]carbamate
CID 110677923
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[1-[5-(bromomethyl)-1,2-oxazol-3-yl]-3-methylbutyl]carbamate
CID 20610322
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate (CID 170534884) is tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate is Cc1cc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate?
The InChIKey is BHGMLUMEDADVFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)7-12(9-13-8-11(3)20-17-13)16-14(18)19-15(4,5)6/h8,10,12H,7,9H2,1-6H3,(H,16,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 170534884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).