2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

C21H24ClN5O3 — CID 135186965

IUPAC2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)NCCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C21H24ClN5O3/c1-13(2)24-8-3-9-29-19-7-5-15(11-25-19)14-4-6-16(22)17(10-14)26-20(28)18-12-30-21(23)27-18/h4-7,10-13,24H,3,8-9H2,1-2H3,(H2,23,27)(H,26,28)
InChIKeyDVFOESHWPKGAJU-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.99
Rot. Bonds9

About 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186965) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186965
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)NCCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C21H24ClN5O3/c1-13(2)24-8-3-9-29-19-7-5-15(11-25-19)14-4-6-16(22)17(10-14)26-20(28)18-12-30-21(23)27-18/h4-7,10-13,24H,3,8-9H2,1-2H3,(H2,23,27)(H,26,28)
InChIKeyDVFOESHWPKGAJU-UHFFFAOYSA-N
XLogP3.99
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 146263255
2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186929
CID 153280818
CID 153280818
2-amino-N-[2-chloro-5-[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135198519
2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257779
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 135198585
1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone
CID 142393741
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
methyl 4-chloro-3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 60849231
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186965) is 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is CC(C)NCCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DVFOESHWPKGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-13(2)24-8-3-9-29-19-7-5-15(11-25-19)14-4-6-16(22)17(10-14)26-20(28)18-12-30-21(23)27-18/h4-7,10-13,24H,3,8-9H2,1-2H3,(H2,23,27)(H,26,28).
What are the key properties of 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).