6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide

C24H31N5O4 — CID 155680783

IUPAC6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
SMILESCc1ccc(C(=O)NCCO)c2c3c([nH]c12)CCC(NC(=O)Nc1cc(C(C)(C)C)on1)C3
InChIInChI=1S/C24H31N5O4/c1-13-5-7-15(22(31)25-9-10-30)20-16-11-14(6-8-17(16)27-21(13)20)26-23(32)28-19-12-18(33-29-19)24(2,3)4/h5,7,12,14,27,30H,6,8-11H2,1-4H3,(H,25,31)(H2,26,28,29,32)
InChIKeyRWDPZWPFSLSSDI-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.16
Rot. Bonds5

About 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide

6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide (PubChem CID 155680783) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide.

Molecular Properties

Compound Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
PubChem CID155680783
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
SMILESCc1ccc(C(=O)NCCO)c2c3c([nH]c12)CCC(NC(=O)Nc1cc(C(C)(C)C)on1)C3
InChIInChI=1S/C24H31N5O4/c1-13-5-7-15(22(31)25-9-10-30)20-16-11-14(6-8-17(16)27-21(13)20)26-23(32)28-19-12-18(33-29-19)24(2,3)4/h5,7,12,14,27,30H,6,8-11H2,1-4H3,(H,25,31)(H2,26,28,29,32)
InChIKeyRWDPZWPFSLSSDI-UHFFFAOYSA-N
XLogP3.16
TPSA132.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide with MolForge

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Related Compounds

6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 155680782
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
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450
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
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976377
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108812303
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
CID 58990227
CID 58990227

Frequently Asked Questions

What is the IUPAC name of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The IUPAC name of 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) is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide.
What is the SMILES notation for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The canonical SMILES for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide is Cc1ccc(C(=O)NCCO)c2c3c([nH]c12)CCC(NC(=O)Nc1cc(C(C)(C)C)on1)C3.
What is the InChIKey of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The InChIKey is RWDPZWPFSLSSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-13-5-7-15(22(31)25-9-10-30)20-16-11-14(6-8-17(16)27-21(13)20)26-23(32)28-19-12-18(33-29-19)24(2,3)4/h5,7,12,14,27,30H,6,8-11H2,1-4H3,(H,25,31)(H2,26,28,29,32).
What are the key properties of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-(2-hydroxyethyl)-1-methyl-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide is sourced from PubChem (CID 155680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).