N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide

C22H24FN3O3 — CID 176672661

IUPACN-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)ccc1OC(C)C
InChIInChI=1S/C22H24FN3O3/c1-14(2)29-19-7-6-17(9-15(19)3)21-20(26-13-28-21)22(27)25-8-4-5-16-10-18(23)12-24-11-16/h6-7,9-14H,4-5,8H2,1-3H3,(H,25,27)
InChIKeyAXAUPRGJRVMUHT-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.33
Rot. Bonds8

About N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide

N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 176672661) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID176672661
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)ccc1OC(C)C
InChIInChI=1S/C22H24FN3O3/c1-14(2)29-19-7-6-17(9-15(19)3)21-20(26-13-28-21)22(27)25-8-4-5-16-10-18(23)12-24-11-16/h6-7,9-14H,4-5,8H2,1-3H3,(H,25,27)
InChIKeyAXAUPRGJRVMUHT-UHFFFAOYSA-N
XLogP4.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
CID 176672689
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 176672630
N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
CID 176672613
N-[(2R)-1-[2-(5-fluoro-3-pyridinyl)ethyl]-2-hydroxycyclopropyl]-5-(3-iodo-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672720
ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide
CID 176672711
5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide
CID 122597246
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide (CID 176672661) is N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)ccc1OC(C)C.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AXAUPRGJRVMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14(2)29-19-7-6-17(9-15(19)3)21-20(26-13-28-21)22(27)25-8-4-5-16-10-18(23)12-24-11-16/h6-7,9-14H,4-5,8H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176672661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).