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

C24H24N4O3 — CID 90375397

IUPAC7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESCC(=O)Nc1ccc2c3cc(-c4c(C)noc4C)cc(C(N)=O)c3n(CC3CC3)c2c1
InChIInChI=1S/C24H24N4O3/c1-12-22(13(2)31-27-12)16-8-19-18-7-6-17(26-14(3)29)10-21(18)28(11-15-4-5-15)23(19)20(9-16)24(25)30/h6-10,15H,4-5,11H2,1-3H3,(H2,25,30)(H,26,29)
InChIKeyVTVJKNNVMMDIGB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.53
Rot. Bonds5

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

7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (PubChem CID 90375397) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.

Molecular Properties

Compound Name7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
PubChem CID90375397
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESCC(=O)Nc1ccc2c3cc(-c4c(C)noc4C)cc(C(N)=O)c3n(CC3CC3)c2c1
InChIInChI=1S/C24H24N4O3/c1-12-22(13(2)31-27-12)16-8-19-18-7-6-17(26-14(3)29)10-21(18)28(11-15-4-5-15)23(19)20(9-16)24(25)30/h6-10,15H,4-5,11H2,1-3H3,(H2,25,30)(H,26,29)
InChIKeyVTVJKNNVMMDIGB-UHFFFAOYSA-N
XLogP4.53
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The IUPAC name of 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (CID 90375397) is 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.
What is the SMILES notation for 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The canonical SMILES for 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is CC(=O)Nc1ccc2c3cc(-c4c(C)noc4C)cc(C(N)=O)c3n(CC3CC3)c2c1.
What is the InChIKey of 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The InChIKey is VTVJKNNVMMDIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-12-22(13(2)31-27-12)16-8-19-18-7-6-17(26-14(3)29)10-21(18)28(11-15-4-5-15)23(19)20(9-16)24(25)30/h6-10,15H,4-5,11H2,1-3H3,(H2,25,30)(H,26,29).
What are the key properties of 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is sourced from PubChem (CID 90375397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).