N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

C23H28FN5O4S — CID 87930815

IUPACN-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCc1noc(C)c1NC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C23H28FN5O4S/c1-15-21(16(2)33-29-15)27-22(31)28-23-26-19(14-34-23)6-4-3-5-11-25-20(30)13-32-12-17-7-9-18(24)10-8-17/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,30)(H2,26,27,28,31)
InChIKeyDAYQBDZXNTXSLZ-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.58
Rot. Bonds12

About N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 87930815) has the molecular formula C23H28FN5O4S and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID87930815
Molecular FormulaC23H28FN5O4S
Molecular Weight489.57 g/mol
Exact Mass489.18
IUPAC NameN-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCc1noc(C)c1NC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C23H28FN5O4S/c1-15-21(16(2)33-29-15)27-22(31)28-23-26-19(14-34-23)6-4-3-5-11-25-20(30)13-32-12-17-7-9-18(24)10-8-17/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,30)(H2,26,27,28,31)
InChIKeyDAYQBDZXNTXSLZ-UHFFFAOYSA-N
XLogP4.58
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide with MolForge

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Related Compounds

N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87804784
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 110187236
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 69384138
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
2-(4-fluorophenyl)sulfanyl-N-[5-(2-pyridin-4-yl-1,3-thiazol-4-yl)pentyl]acetamide
CID 58757056
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 87930815) is N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is Cc1noc(C)c1NC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is DAYQBDZXNTXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O4S/c1-15-21(16(2)33-29-15)27-22(31)28-23-26-19(14-34-23)6-4-3-5-11-25-20(30)13-32-12-17-7-9-18(24)10-8-17/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,30)(H2,26,27,28,31).
What are the key properties of N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 489.57 g/mol, XLogP of 4.58, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 87930815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).