9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide

C29H34N4O3 — CID 90383665

IUPAC9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(C)(C)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C29H34N4O3/c1-17-26(18(2)36-31-17)20-13-23-22-8-7-21(29(3,4)32-9-11-35-12-10-32)15-25(22)33(16-19-5-6-19)27(23)24(14-20)28(30)34/h7-8,13-15,19H,5-6,9-12,16H2,1-4H3,(H2,30,34)
InChIKeyMIOVGBAFVMEWTR-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.14
Rot. Bonds6

About 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide (PubChem CID 90383665) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide
PubChem CID90383665
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(C)(C)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C29H34N4O3/c1-17-26(18(2)36-31-17)20-13-23-22-8-7-21(29(3,4)32-9-11-35-12-10-32)15-25(22)33(16-19-5-6-19)27(23)24(14-20)28(30)34/h7-8,13-15,19H,5-6,9-12,16H2,1-4H3,(H2,30,34)
InChIKeyMIOVGBAFVMEWTR-UHFFFAOYSA-N
XLogP5.14
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide (CID 90383665) is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(C)(C)N3CCOCC3)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide?
The InChIKey is MIOVGBAFVMEWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-17-26(18(2)36-31-17)20-13-23-22-8-7-21(29(3,4)32-9-11-35-12-10-32)15-25(22)33(16-19-5-6-19)27(23)24(14-20)28(30)34/h7-8,13-15,19H,5-6,9-12,16H2,1-4H3,(H2,30,34).
What are the key properties of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide?
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide is sourced from PubChem (CID 90383665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).