N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C23H27N3O4 — CID 92686795

IUPACN-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC[C@@H](C)N(CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1
InChIInChI=1S/C23H27N3O4/c1-4-16(3)26(13-17-6-5-11-28-17)10-9-24-23(27)21-19-14-29-20-8-7-15(2)12-18(20)22(19)30-25-21/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyHVRRPFJRTGIMME-MRXNPFEDSA-N
MW409.49 g/mol
LogP4.17
Rot. Bonds8

About N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 92686795) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID92686795
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC[C@@H](C)N(CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1
InChIInChI=1S/C23H27N3O4/c1-4-16(3)26(13-17-6-5-11-28-17)10-9-24-23(27)21-19-14-29-20-8-7-15(2)12-18(20)22(19)30-25-21/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyHVRRPFJRTGIMME-MRXNPFEDSA-N
XLogP4.17
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-8-methyl-N-(3-methylbutyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551104
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271745
8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273647
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516668
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273761
N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602511
N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 166372648
N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949240
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551069
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 92686795) is N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CC[C@@H](C)N(CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is HVRRPFJRTGIMME-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-16(3)26(13-17-6-5-11-28-17)10-9-24-23(27)21-19-14-29-20-8-7-15(2)12-18(20)22(19)30-25-21/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 92686795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).