N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide

C18H19N3O2 — CID 1361244

IUPACN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-4-17(22)19-13-7-10-16-15(11-13)20-18(23-16)12-5-8-14(9-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyWOSKRXZTYKZCHB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.91
Rot. Bonds4

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

N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide (PubChem CID 1361244) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
PubChem CID1361244
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-4-17(22)19-13-7-10-16-15(11-13)20-18(23-16)12-5-8-14(9-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyWOSKRXZTYKZCHB-UHFFFAOYSA-N
XLogP3.91
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.91
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-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
CID 21229547
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013324
5-(4-bromophenyl)-N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23733323
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 22775669
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683535
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide (CID 1361244) is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is WOSKRXZTYKZCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-17(22)19-13-7-10-16-15(11-13)20-18(23-16)12-5-8-14(9-6-12)21(2)3/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide?
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 1361244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).