6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine

C20H27N3O — CID 19069120

IUPAC6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
SMILESCCCN(CCC)C1Cc2c(-c3ncco3)ccc3c2C(CN3)C1
InChIInChI=1S/C20H27N3O/c1-3-8-23(9-4-2)15-11-14-13-22-18-6-5-16(17(12-15)19(14)18)20-21-7-10-24-20/h5-7,10,14-15,22H,3-4,8-9,11-13H2,1-2H3
InChIKeySAFOURHKMHCNJA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.29
Rot. Bonds6

About 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine

6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine (PubChem CID 19069120) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound Name6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
PubChem CID19069120
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
SMILESCCCN(CCC)C1Cc2c(-c3ncco3)ccc3c2C(CN3)C1
InChIInChI=1S/C20H27N3O/c1-3-8-23(9-4-2)15-11-14-13-22-18-6-5-16(17(12-15)19(14)18)20-21-7-10-24-20/h5-7,10,14-15,22H,3-4,8-9,11-13H2,1-2H3
InChIKeySAFOURHKMHCNJA-UHFFFAOYSA-N
XLogP4.29
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine with MolForge

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Related Compounds

(2aS,4R)-N,N-dipropyl-6-pyrazin-2-yl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 70341667
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956170
1-[(2aR,4R)-4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone
CID 18652839
4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370400
1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19096260
4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370393
8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10267605
4-methyl-N,N-dipropyl-5,6,7,8-tetrahydroquinolin-7-amine
CID 14835953
(1R)-3-(1,2-oxazol-5-yl)-N,N-dipropylcyclohexan-1-amine
CID 67642420
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
N,N-dipropyl-8-(1,3,5-triazin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23373523
2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
CID 140503382

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine?
The IUPAC name of 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine (CID 19069120) is 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine?
The canonical SMILES for 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine is CCCN(CCC)C1Cc2c(-c3ncco3)ccc3c2C(CN3)C1.
What is the InChIKey of 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine?
The InChIKey is SAFOURHKMHCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-8-23(9-4-2)15-11-14-13-22-18-6-5-16(17(12-15)19(14)18)20-21-7-10-24-20/h5-7,10,14-15,22H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine?
6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine has a molecular weight of 325.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 19069120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).