N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide

C22H27N3O2 — CID 21229547

IUPACN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1
InChIInChI=1S/C22H27N3O2/c1-4-7-8-21(26)23-17-11-14-20-19(15-17)24-22(27-20)16-9-12-18(13-10-16)25(5-2)6-3/h9-15H,4-8H2,1-3H3,(H,23,26)
InChIKeyWRDCZMIPJKIDSM-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.47
Rot. Bonds8

About N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide

N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide (PubChem CID 21229547) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
PubChem CID21229547
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1
InChIInChI=1S/C22H27N3O2/c1-4-7-8-21(26)23-17-11-14-20-19(15-17)24-22(27-20)16-9-12-18(13-10-16)25(5-2)6-3/h9-15H,4-8H2,1-3H3,(H,23,26)
InChIKeyWRDCZMIPJKIDSM-UHFFFAOYSA-N
XLogP5.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 22775669
4-butoxy-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 23095104
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
CID 23964998
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamide
CID 23095673
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]prop-2-enamide
CID 21167435
3,5-dibromo-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 21172166
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23095989

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide?
The IUPAC name of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide (CID 21229547) is N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide?
The canonical SMILES for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1.
What is the InChIKey of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide?
The InChIKey is WRDCZMIPJKIDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-7-8-21(26)23-17-11-14-20-19(15-17)24-22(27-20)16-9-12-18(13-10-16)25(5-2)6-3/h9-15H,4-8H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide?
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide has a molecular weight of 365.48 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide is sourced from PubChem (CID 21229547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).