3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine

C10H13N3O — CID 131209113

IUPAC3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NCc1ccc[nH]1
InChIInChI=1S/C10H13N3O/c1-7-10(8(2)14-13-7)12-6-9-4-3-5-11-9/h3-5,11-12H,6H2,1-2H3
InChIKeyMJKHMORTRDGFIX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds3

About 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine

3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine (PubChem CID 131209113) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine
PubChem CID131209113
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NCc1ccc[nH]1
InChIInChI=1S/C10H13N3O/c1-7-10(8(2)14-13-7)12-6-9-4-3-5-11-9/h3-5,11-12H,6H2,1-2H3
InChIKeyMJKHMORTRDGFIX-UHFFFAOYSA-N
XLogP2.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328746
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one
CID 146145227
1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
3-fluoro-4-methyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327524
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-decyl-3,5-dimethyl-1,2-oxazol-4-amine
CID 150808567
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine (CID 131209113) is 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine is Cc1noc(C)c1NCc1ccc[nH]1.
What is the InChIKey of 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine?
The InChIKey is MJKHMORTRDGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-10(8(2)14-13-7)12-6-9-4-3-5-11-9/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine?
3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine has a molecular weight of 191.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 131209113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).