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

C13H17N3O — CID 66403372

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2cccc2CNC2CC2)no1
InChIInChI=1S/C13H17N3O/c1-10-7-12(15-17-10)9-16-6-2-3-13(16)8-14-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3
InChIKeyWMHRTZVNTKCOAD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.08
Rot. Bonds5

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

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66403372) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66403372
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2cccc2CNC2CC2)no1
InChIInChI=1S/C13H17N3O/c1-10-7-12(15-17-10)9-16-6-2-3-13(16)8-14-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3
InChIKeyWMHRTZVNTKCOAD-UHFFFAOYSA-N
XLogP2.08
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403363
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403179
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 810153
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66403372) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Cc1cc(Cn2cccc2CNC2CC2)no1.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is WMHRTZVNTKCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-7-12(15-17-10)9-16-6-2-3-13(16)8-14-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 231.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66403372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).