methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane

C16H31N3O3 — CID 157486060

IUPACmethyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane
SMILESCCC.CCN(CCNC(=O)OC)C(C)c1oc(C)nc1C
InChIInChI=1S/C13H23N3O3.C3H8/c1-6-16(8-7-14-13(17)18-5)10(3)12-9(2)15-11(4)19-12;1-3-2/h10H,6-8H2,1-5H3,(H,14,17);3H2,1-2H3
InChIKeyBWSMZHFMAGKLFE-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.45
Rot. Bonds6

About methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane

methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane (PubChem CID 157486060) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane
PubChem CID157486060
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Namemethyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane
SMILESCCC.CCN(CCNC(=O)OC)C(C)c1oc(C)nc1C
InChIInChI=1S/C13H23N3O3.C3H8/c1-6-16(8-7-14-13(17)18-5)10(3)12-9(2)15-11(4)19-12;1-3-2/h10H,6-8H2,1-5H3,(H,14,17);3H2,1-2H3
InChIKeyBWSMZHFMAGKLFE-UHFFFAOYSA-N
XLogP3.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 110838488
tert-butyl N-[2-[1-(3-chlorophenyl)ethyl-ethylamino]ethyl]carbamate
CID 169245468
methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
CID 141246578
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 79208593
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
methyl N-(2-trimethylsilylethyl)carbamate
CID 130010810
methyl N-(4-methylhexyl)carbamate
CID 126664152
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane?
The IUPAC name of methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane (CID 157486060) is methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane?
The canonical SMILES for methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane is CCC.CCN(CCNC(=O)OC)C(C)c1oc(C)nc1C.
What is the InChIKey of methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane?
The InChIKey is BWSMZHFMAGKLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3.C3H8/c1-6-16(8-7-14-13(17)18-5)10(3)12-9(2)15-11(4)19-12;1-3-2/h10H,6-8H2,1-5H3,(H,14,17);3H2,1-2H3.
What are the key properties of methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane?
methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane has a molecular weight of 313.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane is sourced from PubChem (CID 157486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).