N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C24H21N3O4 — CID 55821010

IUPACN-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1)c1ccco1
InChIInChI=1S/C24H21N3O4/c28-22(21-9-4-14-30-21)25-18-6-3-5-17(15-18)24(29)27-12-10-16(11-13-27)23-26-19-7-1-2-8-20(19)31-23/h1-9,14-16H,10-13H2,(H,25,28)
InChIKeyQMMUYLQKIYURMU-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.69
Rot. Bonds4

About N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55821010) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55821010
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1)c1ccco1
InChIInChI=1S/C24H21N3O4/c28-22(21-9-4-14-30-21)25-18-6-3-5-17(15-18)24(29)27-12-10-16(11-13-27)23-26-19-7-1-2-8-20(19)31-23/h1-9,14-16H,10-13H2,(H,25,28)
InChIKeyQMMUYLQKIYURMU-UHFFFAOYSA-N
XLogP4.69
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
N-[(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41210107
N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53064623
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49192438
3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 31187389
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 55499891
N-[1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573941
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55821010) is N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1)c1ccco1.
What is the InChIKey of N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is QMMUYLQKIYURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-22(21-9-4-14-30-21)25-18-6-3-5-17(15-18)24(29)27-12-10-16(11-13-27)23-26-19-7-1-2-8-20(19)31-23/h1-9,14-16H,10-13H2,(H,25,28).
What are the key properties of N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55821010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).