9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide

C28H30N4O4 — CID 90383582

IUPAC9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESCc1nocc1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1
InChIInChI=1S/C28H30N4O4/c1-15-11-31(12-16(2)36-15)28(34)19-6-7-21-22-8-20(24-14-35-30-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)13-18-4-5-18/h6-10,14-16,18H,4-5,11-13H2,1-3H3,(H2,29,33)/t15-,16+
InChIKeyWYGFPBKKGYQLRD-IYBDPMFKSA-N
MW486.57 g/mol
LogP4.52
Rot. Bonds5

About 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide

9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (PubChem CID 90383582) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
PubChem CID90383582
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESCc1nocc1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1
InChIInChI=1S/C28H30N4O4/c1-15-11-31(12-16(2)36-15)28(34)19-6-7-21-22-8-20(24-14-35-30-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)13-18-4-5-18/h6-10,14-16,18H,4-5,11-13H2,1-3H3,(H2,29,33)/t15-,16+
InChIKeyWYGFPBKKGYQLRD-IYBDPMFKSA-N
XLogP4.52
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (CID 90383582) is 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is Cc1nocc1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The InChIKey is WYGFPBKKGYQLRD-IYBDPMFKSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-15-11-31(12-16(2)36-15)28(34)19-6-7-21-22-8-20(24-14-35-30-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)13-18-4-5-18/h6-10,14-16,18H,4-5,11-13H2,1-3H3,(H2,29,33)/t15-,16+.
What are the key properties of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is sourced from PubChem (CID 90383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).