2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide

C24H30FN5O3 — CID 155924247

IUPAC2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
SMILESCc1cc(C(=O)CCCCC[C@H](NC(=O)CN(C)C)c2ncc(-c3ccccc3F)[nH]2)no1
InChIInChI=1S/C24H30FN5O3/c1-16-13-20(29-33-16)22(31)12-6-4-5-11-19(27-23(32)15-30(2)3)24-26-14-21(28-24)17-9-7-8-10-18(17)25/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,26,28)(H,27,32)/t19-/m0/s1
InChIKeyMIIVFFJEPMFGSH-IBGZPJMESA-N
MW455.53 g/mol
LogP4.06
Rot. Bonds12

About 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide

2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (PubChem CID 155924247) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
PubChem CID155924247
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
SMILESCc1cc(C(=O)CCCCC[C@H](NC(=O)CN(C)C)c2ncc(-c3ccccc3F)[nH]2)no1
InChIInChI=1S/C24H30FN5O3/c1-16-13-20(29-33-16)22(31)12-6-4-5-11-19(27-23(32)15-30(2)3)24-26-14-21(28-24)17-9-7-8-10-18(17)25/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,26,28)(H,27,32)/t19-/m0/s1
InChIKeyMIIVFFJEPMFGSH-IBGZPJMESA-N
XLogP4.06
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (CID 155924247) is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is Cc1cc(C(=O)CCCCC[C@H](NC(=O)CN(C)C)c2ncc(-c3ccccc3F)[nH]2)no1.
What is the InChIKey of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The InChIKey is MIIVFFJEPMFGSH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-16-13-20(29-33-16)22(31)12-6-4-5-11-19(27-23(32)15-30(2)3)24-26-14-21(28-24)17-9-7-8-10-18(17)25/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,26,28)(H,27,32)/t19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide has a molecular weight of 455.53 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is sourced from PubChem (CID 155924247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).