N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine

C11H15N3O — CID 79235965

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc[nH]1
InChIInChI=1S/C11H15N3O/c1-8-11(9(2)15-14-8)7-12-6-10-4-3-5-13-10/h3-5,12-13H,6-7H2,1-2H3
InChIKeyIYOSKSBZBFBCQJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 79235965) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
PubChem CID79235965
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc[nH]1
InChIInChI=1S/C11H15N3O/c1-8-11(9(2)15-14-8)7-12-6-10-4-3-5-13-10/h3-5,12-13H,6-7H2,1-2H3
InChIKeyIYOSKSBZBFBCQJ-UHFFFAOYSA-N
XLogP1.91
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine
CID 131209113
1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 78922105
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 60961090
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine (CID 79235965) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine is Cc1noc(C)c1CNCc1ccc[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is IYOSKSBZBFBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-11(9(2)15-14-8)7-12-6-10-4-3-5-13-10/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 79235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).