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

C23H23N3O4S — CID 90375163

IUPAC9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(S(C)(=O)=O)cc1n2CC1CC1
InChIInChI=1S/C23H23N3O4S/c1-12-21(13(2)30-25-12)15-8-18-17-7-6-16(31(3,28)29)10-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27)
InChIKeyBKYKJILFCHNQHF-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.98
Rot. Bonds5

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

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide (PubChem CID 90375163) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
PubChem CID90375163
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(S(C)(=O)=O)cc1n2CC1CC1
InChIInChI=1S/C23H23N3O4S/c1-12-21(13(2)30-25-12)15-8-18-17-7-6-16(31(3,28)29)10-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27)
InChIKeyBKYKJILFCHNQHF-UHFFFAOYSA-N
XLogP3.98
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.98
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-methylsulfonylcarbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide (CID 90375163) is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(S(C)(=O)=O)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide?
The InChIKey is BKYKJILFCHNQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-12-21(13(2)30-25-12)15-8-18-17-7-6-16(31(3,28)29)10-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27).
What are the key properties of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide?
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.98, 5 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-methylsulfonylcarbazole-1-carboxamide is sourced from PubChem (CID 90375163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).