N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine

C13H23N3O2 — CID 113461976

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine
SMILESCc1noc(C)c1CNC(C)CC1COCCN1
InChIInChI=1S/C13H23N3O2/c1-9(6-12-8-17-5-4-14-12)15-7-13-10(2)16-18-11(13)3/h9,12,14-15H,4-8H2,1-3H3
InChIKeyTXBAMUZYAWDYBJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.15
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine (PubChem CID 113461976) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine
PubChem CID113461976
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine
SMILESCc1noc(C)c1CNC(C)CC1COCCN1
InChIInChI=1S/C13H23N3O2/c1-9(6-12-8-17-5-4-14-12)15-7-13-10(2)16-18-11(13)3/h9,12,14-15H,4-8H2,1-3H3
InChIKeyTXBAMUZYAWDYBJ-UHFFFAOYSA-N
XLogP1.15
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181230
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
CID 113461930
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 106124715
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-morpholin-3-ylpropan-2-amine
CID 106387823
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173708
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
(2R)-2-(1-morpholin-3-ylpropan-2-ylamino)butan-1-ol
CID 104868849
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine (CID 113461976) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine is Cc1noc(C)c1CNC(C)CC1COCCN1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine?
The InChIKey is TXBAMUZYAWDYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(6-12-8-17-5-4-14-12)15-7-13-10(2)16-18-11(13)3/h9,12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine is sourced from PubChem (CID 113461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).