[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate

C26H27N3O4 — CID 90375379

IUPAC[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate
SMILESCc1noc(C)c1-c1ccc2c(c1)c1ccc(OC(=O)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C26H27N3O4/c1-16-25(17(2)33-27-16)19-5-8-23-22(13-19)21-7-6-20(14-24(21)29(23)15-18-3-4-18)32-26(30)28-9-11-31-12-10-28/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3
InChIKeyBSFNYUKCAUOYDW-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.31
Rot. Bonds4

About [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate

[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate (PubChem CID 90375379) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate
PubChem CID90375379
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate
SMILESCc1noc(C)c1-c1ccc2c(c1)c1ccc(OC(=O)N3CCOCC3)cc1n2CC1CC1
InChIInChI=1S/C26H27N3O4/c1-16-25(17(2)33-27-16)19-5-8-23-22(13-19)21-7-6-20(14-24(21)29(23)15-18-3-4-18)32-26(30)28-9-11-31-12-10-28/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3
InChIKeyBSFNYUKCAUOYDW-UHFFFAOYSA-N
XLogP5.31
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide
CID 90383665
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
CID 90375163
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylic acid;tert-butyl 2-[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]acetate
CID 159642357
[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-4-yl]methanesulfinic acid
CID 174779670
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] morpholine-4-carboxylate
CID 129295205
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
tert-butyl 4-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitroanilino]methyl]piperidine-1-carboxylate
CID 122642090
[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
CID 2008973

Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate?
The IUPAC name of [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate (CID 90375379) is [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate is Cc1noc(C)c1-c1ccc2c(c1)c1ccc(OC(=O)N3CCOCC3)cc1n2CC1CC1.
What is the InChIKey of [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate?
The InChIKey is BSFNYUKCAUOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-25(17(2)33-27-16)19-5-8-23-22(13-19)21-7-6-20(14-24(21)29(23)15-18-3-4-18)32-26(30)28-9-11-31-12-10-28/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3.
What are the key properties of [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate?
[9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 90375379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).