6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H29N5O3 — CID 155680782

IUPAC6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)NC2CCc3[nH]c4c(C(=O)NC5CC5)cccc4c3C2)no1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)19-12-20(29-32-19)28-23(31)26-14-9-10-18-17(11-14)15-5-4-6-16(21(15)27-18)22(30)25-13-7-8-13/h4-6,12-14,27H,7-11H2,1-3H3,(H,25,30)(H2,26,28,29,31)
InChIKeyGYTZOQOTJKNFHR-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.02
Rot. Bonds4

About 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 155680782) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID155680782
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)NC2CCc3[nH]c4c(C(=O)NC5CC5)cccc4c3C2)no1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)19-12-20(29-32-19)28-23(31)26-14-9-10-18-17(11-14)15-5-4-6-16(21(15)27-18)22(30)25-13-7-8-13/h4-6,12-14,27H,7-11H2,1-3H3,(H,25,30)(H2,26,28,29,31)
InChIKeyGYTZOQOTJKNFHR-UHFFFAOYSA-N
XLogP4.02
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
CID 155680783
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 155680827
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
CID 92756889
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea
CID 158581962
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356

Frequently Asked Questions

What is the IUPAC name of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 155680782) is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(C)(C)c1cc(NC(=O)NC2CCc3[nH]c4c(C(=O)NC5CC5)cccc4c3C2)no1.
What is the InChIKey of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is GYTZOQOTJKNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,3)19-12-20(29-32-19)28-23(31)26-14-9-10-18-17(11-14)15-5-4-6-16(21(15)27-18)22(30)25-13-7-8-13/h4-6,12-14,27H,7-11H2,1-3H3,(H,25,30)(H2,26,28,29,31).
What are the key properties of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 155680782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).