tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate

C13H23N3O3 — CID 107250071

IUPACtert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)(CNCc1cnco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(17)16-13(4,5)8-14-6-10-7-15-9-18-10/h7,9,14H,6,8H2,1-5H3,(H,16,17)
InChIKeyHQDPKYWOSFDNAM-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.07
Rot. Bonds5

About tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate (PubChem CID 107250071) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
PubChem CID107250071
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)(CNCc1cnco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(17)16-13(4,5)8-14-6-10-7-15-9-18-10/h7,9,14H,6,8H2,1-5H3,(H,16,17)
InChIKeyHQDPKYWOSFDNAM-UHFFFAOYSA-N
XLogP2.07
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[4-[(1,3-oxazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244234
tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate
CID 107245513
tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
CID 103740257
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 167955060
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594
tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249883
tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate
CID 107249905
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
tert-butyl N-[1-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740291
tert-butyl N-[1-[(2-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate (CID 107250071) is tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate is CC(C)(CNCc1cnco1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is HQDPKYWOSFDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2,3)19-11(17)16-13(4,5)8-14-6-10-7-15-9-18-10/h7,9,14H,6,8H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.07, 5 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-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107250071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).