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

C27H28N4O4 — CID 78426585

IUPAC9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C27H28N4O4/c1-15-24(16(2)35-29-15)19-11-21-20-6-5-18(27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)32/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,32)
InChIKeyXNTSEOQKLGLHPF-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.05
Rot. Bonds5

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

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide (PubChem CID 78426585) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide
PubChem CID78426585
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C27H28N4O4/c1-15-24(16(2)35-29-15)19-11-21-20-6-5-18(27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)32/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,32)
InChIKeyXNTSEOQKLGLHPF-UHFFFAOYSA-N
XLogP4.05
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.05
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-(morpholine-4-carbonyl)carbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide (CID 78426585) is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCOCC3)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide?
The InChIKey is XNTSEOQKLGLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-15-24(16(2)35-29-15)19-11-21-20-6-5-18(27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)32/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,32).
What are the key properties of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide?
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)carbazole-1-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.05, 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-(morpholine-4-carbonyl)carbazole-1-carboxamide is sourced from PubChem (CID 78426585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).