N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

C21H21FN4O3 — CID 166165614

IUPACN-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F
InChIInChI=1S/C21H21FN4O3/c1-13(27)24-18-6-5-14(11-17(18)22)15-3-2-4-16(21(15)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27)
InChIKeyQRHPWZCDURLIDB-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.22
Rot. Bonds4

About N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166165614) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166165614
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F
InChIInChI=1S/C21H21FN4O3/c1-13(27)24-18-6-5-14(11-17(18)22)15-3-2-4-16(21(15)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27)
InChIKeyQRHPWZCDURLIDB-UHFFFAOYSA-N
XLogP3.22
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide
CID 24757613
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxy-4-methylbenzamide
CID 24757702
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxy-3-methylbenzamide
CID 24757703
1-(2-Fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(5-methylisoxazol-3-yl)urea
CID 44512211
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-hydroxy-3-methylbutanamide
CID 45111675
6-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3,4-dimethyl-1H-quinolin-2-one
CID 60101864
5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-propan-2-ylidene-1H-indol-2-one
CID 69694692
5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-3-propan-2-ylidene-1H-indol-2-one
CID 69695273
6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3,4-dimethyl-1H-quinolin-2-one
CID 69709521
N-[2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4-fluorophenyl]-3-methylbut-2-enamide
CID 91606612
4-amino-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide
CID 153704168
1-[2-Fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
CID 166165749

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166165614) is N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is QRHPWZCDURLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13(27)24-18-6-5-14(11-17(18)22)15-3-2-4-16(21(15)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166165614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).