1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine

C16H25N3O — CID 79109130

IUPAC1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2cc(C)on2)c1
InChIInChI=1S/C16H25N3O/c1-4-6-16(17-8-5-2)14-7-9-19(11-14)12-15-10-13(3)20-18-15/h7,9-11,16-17H,4-6,8,12H2,1-3H3
InChIKeyKNEDHLJBOKBTOY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.67
Rot. Bonds8

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

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine (PubChem CID 79109130) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
PubChem CID79109130
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2cc(C)on2)c1
InChIInChI=1S/C16H25N3O/c1-4-6-16(17-8-5-2)14-7-9-19(11-14)12-15-10-13(3)20-18-15/h7,9-11,16-17H,4-6,8,12H2,1-3H3
InChIKeyKNEDHLJBOKBTOY-UHFFFAOYSA-N
XLogP3.67
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79107982
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 104801349
N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099776
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772
N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
CID 66406304
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine?
The IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine (CID 79109130) is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine.
What is the SMILES notation for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine?
The canonical SMILES for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine is CCCNC(CCC)c1ccn(Cc2cc(C)on2)c1.
What is the InChIKey of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine?
The InChIKey is KNEDHLJBOKBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-6-16(17-8-5-2)14-7-9-19(11-14)12-15-10-13(3)20-18-15/h7,9-11,16-17H,4-6,8,12H2,1-3H3.
What are the key properties of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine?
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine is sourced from PubChem (CID 79109130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).