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

C10H13N3O — CID 62340417

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1cc(CNCc2ccc[nH]2)no1
InChIInChI=1S/C10H13N3O/c1-8-5-10(13-14-8)7-11-6-9-3-2-4-12-9/h2-5,11-12H,6-7H2,1H3
InChIKeyMXBAHUVFZQTEPD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.60
Rot. Bonds4

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 62340417) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
PubChem CID62340417
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1cc(CNCc2ccc[nH]2)no1
InChIInChI=1S/C10H13N3O/c1-8-5-10(13-14-8)7-11-6-9-3-2-4-12-9/h2-5,11-12H,6-7H2,1H3
InChIKeyMXBAHUVFZQTEPD-UHFFFAOYSA-N
XLogP1.60
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.60
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
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-1H-imidazol-4-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 62743049
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 63001057
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
1-(5-tert-butylthiophen-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 81498798
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine (CID 62340417) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine is Cc1cc(CNCc2ccc[nH]2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is MXBAHUVFZQTEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-5-10(13-14-8)7-11-6-9-3-2-4-12-9/h2-5,11-12H,6-7H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 62340417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).