4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

C23H26N4O4 — CID 58674488

IUPAC4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C(C)(C)C)no3)cc2)ccn1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)19-14-21(31-27-19)26-20(28)10-7-15-5-8-16(9-6-15)30-17-11-12-25-18(13-17)22(29)24-4/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyNDPHFXXTHPOQAI-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.09
Rot. Bonds7

About 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58674488) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58674488
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C(C)(C)C)no3)cc2)ccn1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)19-14-21(31-27-19)26-20(28)10-7-15-5-8-16(9-6-15)30-17-11-12-25-18(13-17)22(29)24-4/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyNDPHFXXTHPOQAI-UHFFFAOYSA-N
XLogP4.09
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674639
4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 147275550
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-[3-[4-chloro-2-[2-(dimethylamino)ethoxy]-5-methylanilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159272609
4-[4-[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159439313
4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 160705084
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
CID 59420462
2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 67183958
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-(naphthalen-2-ylsulfonylmethyl)phenoxy]pyridine-2-carboxamide
CID 147737582
N-methyl-4-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
CID 142752190

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 58674488) is 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C(C)(C)C)no3)cc2)ccn1.
What is the InChIKey of 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is NDPHFXXTHPOQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2,3)19-14-21(31-27-19)26-20(28)10-7-15-5-8-16(9-6-15)30-17-11-12-25-18(13-17)22(29)24-4/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,24,29)(H,26,28).
What are the key properties of 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58674488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).