1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine

C10H19N3O — CID 82398747

IUPAC1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
SMILESCc1noc(C)c1CN(C)CC(C)N
InChIInChI=1S/C10H19N3O/c1-7(11)5-13(4)6-10-8(2)12-14-9(10)3/h7H,5-6,11H2,1-4H3
InChIKeyRGVFHLWENDOMHA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.07
Rot. Bonds4

About 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine

1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine (PubChem CID 82398747) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
PubChem CID82398747
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
SMILESCc1noc(C)c1CN(C)CC(C)N
InChIInChI=1S/C10H19N3O/c1-7(11)5-13(4)6-10-8(2)12-14-9(10)3/h7H,5-6,11H2,1-4H3
InChIKeyRGVFHLWENDOMHA-UHFFFAOYSA-N
XLogP1.07
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
CID 91837486
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
CID 66220682
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
CID 99799701
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
CID 47053529
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine (CID 82398747) is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine is Cc1noc(C)c1CN(C)CC(C)N.
What is the InChIKey of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is RGVFHLWENDOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(11)5-13(4)6-10-8(2)12-14-9(10)3/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine?
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 197.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 82398747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).