2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide

C19H25N5O5 — CID 3602632

IUPAC2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NC(CC(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1
InChIInChI=1S/C19H25N5O5/c1-4-14(20)19-23-16(10-29-19)18(26)22-15(9-11(2)3)17(25)21-12-5-7-13(8-6-12)24(27)28/h5-8,10-11,14-15H,4,9,20H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyLXRLURVPHAJDGK-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.78
Rot. Bonds9

About 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 3602632) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID3602632
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NC(CC(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1
InChIInChI=1S/C19H25N5O5/c1-4-14(20)19-23-16(10-29-19)18(26)22-15(9-11(2)3)17(25)21-12-5-7-13(8-6-12)24(27)28/h5-8,10-11,14-15H,4,9,20H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyLXRLURVPHAJDGK-UHFFFAOYSA-N
XLogP2.78
TPSA153.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-aminobutyl)-N-[2-(4-nitrophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3530922
N-[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-(sulfanylmethyl)hexanamide
CID 10222337
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
4-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134826769
benzyl N-[(2S)-1-[[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71381317
4-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 16794620
(2S,3R)-2-amino-3-hydroxy-N-[(2S,3S)-3-hydroxy-1-(4-nitroanilino)-1-oxobutan-2-yl]butanamide
CID 95566048
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide (CID 3602632) is 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NC(CC(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LXRLURVPHAJDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-4-14(20)19-23-16(10-29-19)18(26)22-15(9-11(2)3)17(25)21-12-5-7-13(8-6-12)24(27)28/h5-8,10-11,14-15H,4,9,20H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3602632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).