N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

C16H24N4O — CID 79099232

IUPACN-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(Cc2nnc(CC)o2)c1)C1CC1
InChIInChI=1S/C16H24N4O/c1-3-8-17-16(12-5-6-12)13-7-9-20(10-13)11-15-19-18-14(4-2)21-15/h7,9-10,12,16-17H,3-6,8,11H2,1-2H3
InChIKeyZOQCCDUYYMENIM-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.93
Rot. Bonds8

About N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 79099232) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID79099232
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(Cc2nnc(CC)o2)c1)C1CC1
InChIInChI=1S/C16H24N4O/c1-3-8-17-16(12-5-6-12)13-7-9-20(10-13)11-15-19-18-14(4-2)21-15/h7,9-10,12,16-17H,3-6,8,11H2,1-2H3
InChIKeyZOQCCDUYYMENIM-UHFFFAOYSA-N
XLogP2.93
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (CID 79099232) is N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is CCCNC(c1ccn(Cc2nnc(CC)o2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is ZOQCCDUYYMENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-8-17-16(12-5-6-12)13-7-9-20(10-13)11-15-19-18-14(4-2)21-15/h7,9-10,12,16-17H,3-6,8,11H2,1-2H3.
What are the key properties of N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79099232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).