[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid

C27H29N3O3 — CID 67062674

IUPAC[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@H](CC(Cc1ccccc1)NC(=O)O)c1cc(-c2ccc3cnccc3c2)no1
InChIInChI=1S/C27H29N3O3/c1-27(2,3)23(15-22(29-26(31)32)13-18-7-5-4-6-8-18)25-16-24(30-33-25)20-9-10-21-17-28-12-11-19(21)14-20/h4-12,14,16-17,22-23,29H,13,15H2,1-3H3,(H,31,32)/t22?,23-/m0/s1
InChIKeyJYPNDVCNLLLFJT-WCSIJFPASA-N
MW443.55 g/mol
LogP6.29
Rot. Bonds7

About [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid

[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid (PubChem CID 67062674) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid
PubChem CID67062674
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@H](CC(Cc1ccccc1)NC(=O)O)c1cc(-c2ccc3cnccc3c2)no1
InChIInChI=1S/C27H29N3O3/c1-27(2,3)23(15-22(29-26(31)32)13-18-7-5-4-6-8-18)25-16-24(30-33-25)20-9-10-21-17-28-12-11-19(21)14-20/h4-12,14,16-17,22-23,29H,13,15H2,1-3H3,(H,31,32)/t22?,23-/m0/s1
InChIKeyJYPNDVCNLLLFJT-WCSIJFPASA-N
XLogP6.29
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[(4S)-1-(4-chlorophenyl)-4-(4-isoquinolin-6-ylpyrazol-1-yl)-5,5-dimethylhexan-2-yl]carbamic acid
CID 67062614
[1-(4-chlorophenyl)-4-(4-isoquinolin-6-ylpyrazol-1-yl)-5,5-dimethylhexan-2-yl]carbamic acid
CID 77219871
[1-[(5-isoquinolin-6-yl-1,2-oxazol-3-yl)amino]-4,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-2-yl]carbamic acid
CID 77219865
2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
CID 24849393
(2R)-3-(2-chlorophenyl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
CID 67062725
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 24849351
[(4R)-4-(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 67524016
[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-1-phenyl-6-(4-pyridin-4-ylphenyl)hexan-2-yl]carbamic acid
CID 68792641
3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
CID 67062617
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
1-[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-3-(isoquinoline-6-carbonylamino)thiourea
CID 87744914

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid?
The IUPAC name of [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid (CID 67062674) is [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid.
What is the SMILES notation for [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid?
The canonical SMILES for [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid is CC(C)(C)[C@@H](CC(Cc1ccccc1)NC(=O)O)c1cc(-c2ccc3cnccc3c2)no1.
What is the InChIKey of [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid?
The InChIKey is JYPNDVCNLLLFJT-WCSIJFPASA-N. The full InChI is InChI=1S/C27H29N3O3/c1-27(2,3)23(15-22(29-26(31)32)13-18-7-5-4-6-8-18)25-16-24(30-33-25)20-9-10-21-17-28-12-11-19(21)14-20/h4-12,14,16-17,22-23,29H,13,15H2,1-3H3,(H,31,32)/t22?,23-/m0/s1.
What are the key properties of [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid?
[(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid has a molecular weight of 443.55 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-5,5-dimethyl-1-phenylhexan-2-yl]carbamic acid is sourced from PubChem (CID 67062674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).